 Entering Gaussian System, Link 0=g16
 Input=22_phenylethanamine_conformer04_STD_B3LYPDBJ_augccpVDZ.in
 Output=22_phenylethanamine_conformer04_STD_B3LYPDBJ_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_augccpVDZ/Gau-30291.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     30293.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=22_phenylethanamine_conformer04_STD_B3LYPDBJ_augccpVDZ
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 19:50:33 2021, MaxMem=  5368709120 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "22_phenylethanamine_conformer04_STD_B3LYPDBJ_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 2.015699000000     -1.138132000000     -0.153815000000
  C                                                 0.638227000000     -1.184978000000     -0.311533000000
  C                                                -0.141832000000     -0.032477000000     -0.189620000000
  C                                                 0.500424000000      1.172188000000      0.084373000000
  C                                                 1.881262000000      1.221600000000      0.250761000000
  C                                                 2.644485000000      0.068526000000      0.135177000000
  C                                                -1.649929000000     -0.124479000000     -0.356486000000
  N                                                -2.274918000000      1.199425000000     -0.317152000000
  C                                                -2.260426000000     -1.102776000000      0.659981000000
  H                                                -2.265656000000      1.564094000000      0.630511000000
  H                                                -1.839228000000     -0.517618000000     -1.360895000000
  H                                                -2.090423000000     -0.739339000000      1.676400000000
  H                                                -1.826100000000     -2.100418000000      0.585451000000
  H                                                -3.337367000000     -1.189506000000      0.500207000000
  H                                                -0.079749000000      2.081767000000      0.140221000000
  H                                                 2.359886000000      2.169228000000      0.463823000000
  H                                                 3.718801000000      0.107980000000      0.260806000000
  H                                                 2.599874000000     -2.043659000000     -0.258670000000
  H                                                 0.164968000000     -2.131705000000     -0.542207000000
  H                                                -3.248037000000      1.126363000000     -0.588600000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     20 NQM=       20 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          14          12           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  14.0030740  12.0000000   1.0078250
 NucSpn=           0           0           0           0           0           0           0           2           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   4.5500000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   7.0000000   6.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 12 19:50:34 2021, MaxMem=  5368709120 cpu:               2.1 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.015699   -1.138132   -0.153815
      2          6           0        0.638227   -1.184978   -0.311533
      3          6           0       -0.141832   -0.032477   -0.189620
      4          6           0        0.500424    1.172188    0.084373
      5          6           0        1.881262    1.221600    0.250761
      6          6           0        2.644485    0.068526    0.135177
      7          6           0       -1.649929   -0.124479   -0.356486
      8          7           0       -2.274918    1.199425   -0.317152
      9          6           0       -2.260426   -1.102776    0.659981
     10          1           0       -2.265656    1.564094    0.630511
     11          1           0       -1.839228   -0.517618   -1.360895
     12          1           0       -2.090423   -0.739339    1.676400
     13          1           0       -1.826100   -2.100418    0.585451
     14          1           0       -3.337367   -1.189506    0.500207
     15          1           0       -0.079749    2.081767    0.140221
     16          1           0        2.359886    2.169228    0.463823
     17          1           0        3.718801    0.107980    0.260806
     18          1           0        2.599874   -2.043659   -0.258670
     19          1           0        0.164968   -2.131705   -0.542207
     20          1           0       -3.248037    1.126363   -0.588600
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.387263   0.000000
     3  C    2.424602   1.397002   0.000000
     4  C    2.773152   2.394152   1.392402   0.000000
     5  C    2.397935   2.766393   2.420652   1.391704   0.000000
     6  C    1.391011   2.407466   2.807001   2.411980   1.387605
     7  C    3.808595   2.522367   1.520087   2.549455   3.827530
     8  N    4.888788   3.764548   2.466557   2.804369   4.194860
     9  C    4.353017   3.058232   2.521072   3.623407   4.766945
    10  H    5.123201   4.108209   2.780698   2.846587   4.178330
    11  H    4.086874   2.772059   2.118584   3.227726   4.411843
    12  H    4.513198   3.405290   2.789031   3.591793   4.653172
    13  H    4.028887   2.777682   2.777386   4.046448   4.989224
    14  H    5.393116   4.057621   3.467855   4.525390   5.754107
    15  H    3.852935   3.375084   2.140719   1.080303   2.144218
    16  H    3.382096   3.849154   3.396040   2.143751   1.082809
    17  H    2.150642   3.389579   3.889357   3.394351   2.148674
    18  H    1.082698   2.142005   3.400966   3.855780   3.381988
    19  H    2.136174   1.083271   2.150628   3.379474   3.849561
    20  H    5.746642   4.530134   3.339252   3.808668   5.198394
                    6          7          8          9         10
     6  C    0.000000
     7  C    4.326774   0.000000
     8  N    5.067944   1.464541   0.000000
     9  C    5.070061   1.537198   2.501025   0.000000
    10  H    5.156701   2.050503   1.015448   2.667038   0.000000
    11  H    4.762928   1.095094   2.056079   2.145637   2.912227
    12  H    5.044538   2.169035   2.786951   1.092747   2.535822
    13  H    4.989308   2.196046   3.450376   1.090634   3.691055
    14  H    6.123597   2.171555   2.739318   1.092178   2.957678
    15  H    3.387420   2.753126   2.409665   3.894460   2.299252
    16  H    2.145216   4.691760   4.799151   5.664960   4.667934
    17  H    1.082356   5.409099   6.119637   6.113626   6.170144
    18  H    2.149054   4.664080   5.855306   5.035047   6.122084
    19  H    3.383470   2.712434   4.135229   2.895943   4.576257
    20  H    6.030314   2.042653   1.012908   2.739232   1.625704
                   11         12         13         14         15
    11  H    0.000000
    12  H    3.055719   0.000000
    13  H    2.508723   1.764248   0.000000
    14  H    2.481845   1.772272   1.766623   0.000000
    15  H    3.479356   3.789630   4.553970   4.630647   0.000000
    16  H    5.308606   5.453013   5.980564   6.613706   2.462557
    17  H    5.823485   6.038952   5.977319   7.178460   4.282448
    18  H    4.821756   5.238762   4.506108   6.046181   4.935447
    19  H    2.700431   3.456543   2.288437   3.773687   4.275388
    20  H    2.298664   3.154543   3.716506   2.560611   3.388514
                   16         17         18         19         20
    16  H    0.000000
    17  H    2.477218   0.000000
    18  H    4.281122   2.480202   0.000000
    19  H    4.932321   4.276768   2.452940   0.000000
    20  H    5.800342   7.091927   6.660027   4.718661   0.000000
 Stoichiometry    C8H11N
 Framework group  C1[X(C8H11N)]
 Deg. of freedom    54
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.41D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.015699   -1.138132   -0.153815
      2          6           0        0.638227   -1.184978   -0.311533
      3          6           0       -0.141832   -0.032477   -0.189620
      4          6           0        0.500424    1.172188    0.084373
      5          6           0        1.881262    1.221600    0.250761
      6          6           0        2.644485    0.068526    0.135177
      7          6           0       -1.649929   -0.124479   -0.356486
      8          7           0       -2.274918    1.199425   -0.317152
      9          6           0       -2.260426   -1.102776    0.659981
     10          1           0       -2.265656    1.564094    0.630511
     11          1           0       -1.839228   -0.517618   -1.360895
     12          1           0       -2.090423   -0.739339    1.676400
     13          1           0       -1.826100   -2.100418    0.585451
     14          1           0       -3.337367   -1.189506    0.500207
     15          1           0       -0.079749    2.081767    0.140221
     16          1           0        2.359886    2.169228    0.463823
     17          1           0        3.718801    0.107980    0.260806
     18          1           0        2.599874   -2.043659   -0.258670
     19          1           0        0.164968   -2.131705   -0.542207
     20          1           0       -3.248037    1.126363   -0.588600
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.4178168           1.1702025           0.9286938
 Leave Link  202 at Thu Aug 12 19:50:34 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      10     11     12     13     14     15     16     17     18     19
 Centers:      20
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      9
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       8
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  27 primitive shells out of 340 were deleted.
 There are   324 symmetry adapted cartesian basis functions of A   symmetry.
 There are   306 symmetry adapted basis functions of A   symmetry.
   306 basis functions,   555 primitive gaussians,   324 cartesian basis functions
    33 alpha electrons       33 beta electrons
       nuclear repulsion energy       425.3718298430 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   20 NActive=   20 NUniq=   20 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0347587233 Hartrees.
 Nuclear repulsion after empirical dispersion term =      425.3370711197 Hartrees.
 Leave Link  301 at Thu Aug 12 19:50:37 2021, MaxMem=  5368709120 cpu:              18.2 elap:               2.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   306 RedAO= T EigKep=  1.69D-06  NBF=   306
 NBsUse=   306 1.00D-06 EigRej= -1.00D+00 NBFU=   306
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   324   324   324   324   324 MxSgAt=    20 MxSgA2=    20.
 Leave Link  302 at Thu Aug 12 19:50:38 2021, MaxMem=  5368709120 cpu:               5.1 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 19:50:39 2021, MaxMem=  5368709120 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "22_phenylethanamine_conformer04_STD_B3LYPDBJ_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 19:50:42 2021, MaxMem=  5368709120 cpu:              24.3 elap:               3.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368493398 LenY=  5368387981
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -366.298189540626    
 DIIS: error= 2.22D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -366.298189540626     IErMin= 1 ErrMin= 2.22D-03
 ErrMax= 2.22D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.58D-03 BMatP= 4.58D-03
 IDIUse=3 WtCom= 9.78D-01 WtEn= 2.22D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.231 Goal=   None    Shift=    0.000
 GapD=    0.231 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=8.06D-02 MaxDP=5.08D+00              OVMax= 1.78D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.32D-02    CP:  1.96D+00
 E= -366.302438932383     Delta-E=       -0.004249391757 Rises=F Damp=F
 DIIS: error= 2.27D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -366.302438932383     IErMin= 2 ErrMin= 2.27D-04
 ErrMax= 2.27D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.11D-05 BMatP= 4.58D-03
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.27D-03
 Coeff-Com:  0.164D-02 0.998D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.163D-02 0.998D+00
 Gap=     0.226 Goal=   None    Shift=    0.000
 RMSDP=2.96D-03 MaxDP=1.93D-01 DE=-4.25D-03 OVMax= 3.04D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  6.27D-04    CP:  1.99D+00  1.04D+00
 E= -366.302448894399     Delta-E=       -0.000009962016 Rises=F Damp=F
 DIIS: error= 2.24D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -366.302448894399     IErMin= 3 ErrMin= 2.24D-04
 ErrMax= 2.24D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.88D-05 BMatP= 3.11D-05
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.24D-03
 Coeff-Com: -0.711D-02 0.491D+00 0.516D+00
 Coeff-En:   0.000D+00 0.411D+00 0.589D+00
 Coeff:     -0.710D-02 0.491D+00 0.516D+00
 Gap=     0.226 Goal=   None    Shift=    0.000
 RMSDP=2.37D-04 MaxDP=9.66D-03 DE=-9.96D-06 OVMax= 1.90D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.45D-04    CP:  1.99D+00  1.04D+00  8.96D-01
 E= -366.302477669844     Delta-E=       -0.000028775445 Rises=F Damp=F
 DIIS: error= 5.80D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -366.302477669844     IErMin= 4 ErrMin= 5.80D-05
 ErrMax= 5.80D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.06D-06 BMatP= 2.88D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.396D-02 0.141D+00 0.275D+00 0.588D+00
 Coeff:     -0.396D-02 0.141D+00 0.275D+00 0.588D+00
 Gap=     0.226 Goal=   None    Shift=    0.000
 RMSDP=7.01D-05 MaxDP=3.03D-03 DE=-2.88D-05 OVMax= 8.32D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.40D-05    CP:  1.99D+00  1.04D+00  9.00D-01  9.17D-01
 E= -366.302480289781     Delta-E=       -0.000002619936 Rises=F Damp=F
 DIIS: error= 2.94D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -366.302480289781     IErMin= 5 ErrMin= 2.94D-05
 ErrMax= 2.94D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.62D-07 BMatP= 3.06D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.146D-02 0.279D-01 0.115D+00 0.377D+00 0.482D+00
 Coeff:     -0.146D-02 0.279D-01 0.115D+00 0.377D+00 0.482D+00
 Gap=     0.226 Goal=   None    Shift=    0.000
 RMSDP=2.04D-05 MaxDP=1.02D-03 DE=-2.62D-06 OVMax= 3.06D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.38D-05    CP:  1.99D+00  1.04D+00  9.11D-01  9.25D-01  7.99D-01
 E= -366.302481048359     Delta-E=       -0.000000758578 Rises=F Damp=F
 DIIS: error= 4.56D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -366.302481048359     IErMin= 6 ErrMin= 4.56D-06
 ErrMax= 4.56D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.65D-08 BMatP= 6.62D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.269D-03-0.581D-03 0.260D-01 0.105D+00 0.202D+00 0.668D+00
 Coeff:     -0.269D-03-0.581D-03 0.260D-01 0.105D+00 0.202D+00 0.668D+00
 Gap=     0.226 Goal=   None    Shift=    0.000
 RMSDP=3.22D-06 MaxDP=1.57D-04 DE=-7.59D-07 OVMax= 4.79D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.47D-06    CP:  1.99D+00  1.04D+00  9.13D-01  9.28D-01  8.30D-01
                    CP:  1.03D+00
 E= -366.302481063830     Delta-E=       -0.000000015471 Rises=F Damp=F
 DIIS: error= 1.82D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -366.302481063830     IErMin= 7 ErrMin= 1.82D-06
 ErrMax= 1.82D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.58D-09 BMatP= 1.65D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.717D-04-0.203D-02 0.620D-02 0.304D-01 0.769D-01 0.357D+00
 Coeff-Com:  0.532D+00
 Coeff:     -0.717D-04-0.203D-02 0.620D-02 0.304D-01 0.769D-01 0.357D+00
 Coeff:      0.532D+00
 Gap=     0.226 Goal=   None    Shift=    0.000
 RMSDP=1.04D-06 MaxDP=4.58D-05 DE=-1.55D-08 OVMax= 1.10D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  7.07D-07    CP:  1.99D+00  1.04D+00  9.13D-01  9.31D-01  8.30D-01
                    CP:  1.04D+00  9.96D-01
 E= -366.302481066101     Delta-E=       -0.000000002271 Rises=F Damp=F
 DIIS: error= 3.41D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -366.302481066101     IErMin= 8 ErrMin= 3.41D-07
 ErrMax= 3.41D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.23D-10 BMatP= 2.58D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.163D-04-0.696D-03-0.100D-02-0.160D-02 0.477D-02 0.468D-01
 Coeff-Com:  0.203D+00 0.749D+00
 Coeff:      0.163D-04-0.696D-03-0.100D-02-0.160D-02 0.477D-02 0.468D-01
 Coeff:      0.203D+00 0.749D+00
 Gap=     0.226 Goal=   None    Shift=    0.000
 RMSDP=6.03D-07 MaxDP=3.26D-05 DE=-2.27D-09 OVMax= 3.75D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.91D-07    CP:  1.99D+00  1.04D+00  9.14D-01  9.31D-01  8.32D-01
                    CP:  1.05D+00  1.01D+00  9.42D-01
 E= -366.302481066215     Delta-E=       -0.000000000114 Rises=F Damp=F
 DIIS: error= 1.23D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -366.302481066215     IErMin= 9 ErrMin= 1.23D-07
 ErrMax= 1.23D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.09D-11 BMatP= 1.23D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.101D-04-0.332D-03-0.696D-03-0.163D-02 0.779D-03 0.168D-01
 Coeff-Com:  0.923D-01 0.398D+00 0.495D+00
 Coeff:      0.101D-04-0.332D-03-0.696D-03-0.163D-02 0.779D-03 0.168D-01
 Coeff:      0.923D-01 0.398D+00 0.495D+00
 Gap=     0.226 Goal=   None    Shift=    0.000
 RMSDP=8.37D-08 MaxDP=4.53D-06 DE=-1.14D-10 OVMax= 1.50D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  7.02D-08    CP:  1.99D+00  1.04D+00  9.14D-01  9.31D-01  8.33D-01
                    CP:  1.05D+00  1.02D+00  9.50D-01  9.71D-01
 E= -366.302481066211     Delta-E=        0.000000000004 Rises=F Damp=F
 DIIS: error= 5.04D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin= 9 EnMin= -366.302481066215     IErMin=10 ErrMin= 5.04D-08
 ErrMax= 5.04D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.41D-12 BMatP= 1.09D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.232D-05-0.493D-04-0.190D-03-0.615D-03-0.446D-03 0.501D-03
 Coeff-Com:  0.104D-01 0.786D-01 0.277D+00 0.634D+00
 Coeff:      0.232D-05-0.493D-04-0.190D-03-0.615D-03-0.446D-03 0.501D-03
 Coeff:      0.104D-01 0.786D-01 0.277D+00 0.634D+00
 Gap=     0.226 Goal=   None    Shift=    0.000
 RMSDP=3.57D-08 MaxDP=1.53D-06 DE= 3.87D-12 OVMax= 5.44D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.68D-08    CP:  1.99D+00  1.04D+00  9.14D-01  9.31D-01  8.33D-01
                    CP:  1.05D+00  1.02D+00  9.58D-01  9.75D-01  7.23D-01
 E= -366.302481066228     Delta-E=       -0.000000000017 Rises=F Damp=F
 DIIS: error= 1.52D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -366.302481066228     IErMin=11 ErrMin= 1.52D-08
 ErrMax= 1.52D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.85D-13 BMatP= 1.41D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.395D-06 0.140D-05-0.381D-04-0.181D-03-0.277D-03-0.102D-02
 Coeff-Com: -0.272D-02 0.795D-02 0.115D+00 0.366D+00 0.515D+00
 Coeff:      0.395D-06 0.140D-05-0.381D-04-0.181D-03-0.277D-03-0.102D-02
 Coeff:     -0.272D-02 0.795D-02 0.115D+00 0.366D+00 0.515D+00
 Gap=     0.226 Goal=   None    Shift=    0.000
 RMSDP=9.34D-09 MaxDP=3.57D-07 DE=-1.72D-11 OVMax= 1.37D-07

 SCF Done:  E(RB3LYP) =  -366.302481066     A.U. after   11 cycles
            NFock= 11  Conv=0.93D-08     -V/T= 2.0061
 KE= 3.640821964488D+02 PE=-1.700027963591D+03 EE= 5.443062149558D+02
 Leave Link  502 at Thu Aug 12 19:53:45 2021, MaxMem=  5368709120 cpu:            1453.7 elap:             181.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   306
 NBasis=   306 NAE=    33 NBE=    33 NFC=     0 NFV=     0
 NROrb=    306 NOA=    33 NOB=    33 NVA=   273 NVB=   273

 **** Warning!!: The largest alpha MO coefficient is  0.13460084D+03

 Leave Link  801 at Thu Aug 12 19:53:45 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         6185 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          20
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.50D-13 8.33D-09 XBig12= 1.00D+00 3.96D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.50D-13 8.33D-09 XBig12= 4.34D-01 1.11D-01.
     11 vectors produced by pass  2 Test12= 1.50D-13 8.33D-09 XBig12= 5.71D-02 5.23D-02.
     11 vectors produced by pass  3 Test12= 1.50D-13 8.33D-09 XBig12= 3.20D-03 1.13D-02.
     11 vectors produced by pass  4 Test12= 1.50D-13 8.33D-09 XBig12= 1.84D-04 3.01D-03.
     11 vectors produced by pass  5 Test12= 1.50D-13 8.33D-09 XBig12= 7.27D-06 4.36D-04.
     11 vectors produced by pass  6 Test12= 1.50D-13 8.33D-09 XBig12= 2.06D-07 6.06D-05.
     11 vectors produced by pass  7 Test12= 1.50D-13 8.33D-09 XBig12= 1.95D-09 9.01D-06.
     10 vectors produced by pass  8 Test12= 1.50D-13 8.33D-09 XBig12= 1.38D-11 5.38D-07.
      7 vectors produced by pass  9 Test12= 1.50D-13 8.33D-09 XBig12= 1.47D-13 6.88D-08.
      2 vectors produced by pass 10 Test12= 1.50D-13 8.33D-09 XBig12= 1.26D-14 1.40D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.84D-14
 Solved reduced A of dimension   107 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.140083D+03
      2  0.113438D+01  0.114714D+03
      3  0.217097D+01  0.400869D+01  0.763566D+02
 Isotropic polarizability for W=    0.085645      110.38 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.643496D+02  0.297674D+01  0.803511D+01
      2  -0.263076D+02 -0.702148D+01 -0.129203D+02
      3  -0.380420D+02  0.404474D+01  0.488522D+01
      4  -0.153440D+02  0.494146D+02  0.290288D+02
      5   0.217497D+02  0.307138D+02 -0.231113D+02
      6   0.957397D+01  0.705981D+01 -0.729503D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.576520D+00 -0.431961D+00  0.227873D+01
      2   0.132933D+02  0.125408D+02 -0.875773D+01
      3   0.162153D+01 -0.300020D+02 -0.129153D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.168500D+01  0.199801D+02  0.113398D+02
      2  -0.137145D+02  0.194549D+02  0.149308D+02
      3  -0.183208D+02 -0.757223D+02 -0.211399D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.234020D+00 -0.243215D+01 -0.184769D+01
      2  -0.243215D+01 -0.188217D+01  0.209098D+01
      3  -0.184769D+01  0.209098D+01  0.697172D+00
 OR G Eigenvalues:    -3.6551    -1.3378     4.0419  Iso=     0.3170
 Eigenvectors:
   (1)   0.432989   0.870401  -0.234354
   (2)   0.663014  -0.131390   0.736987
   (3)  -0.610683   0.474487   0.633978
 w=    0.085645 a.u., Optical Rotation Beta=      0.3170 au.
 Molar Mass =    121.1816 grams/mole, [Alpha] ( 5320.0 A) =      124.06 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   46971 ScalPx= 2.37D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   46971 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 4.47D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.50D-14 2.78D-09 XBig12= 1.00D+00 3.84D-01.
     30 vectors produced by pass  1 Test12= 2.50D-14 2.78D-09 XBig12= 2.73D-02 3.09D-02.
     30 vectors produced by pass  2 Test12= 2.50D-14 2.78D-09 XBig12= 9.65D-04 8.95D-03.
     30 vectors produced by pass  3 Test12= 2.50D-14 2.78D-09 XBig12= 1.84D-05 5.45D-04.
     30 vectors produced by pass  4 Test12= 2.50D-14 2.78D-09 XBig12= 1.94D-07 5.30D-05.
     30 vectors produced by pass  5 Test12= 2.50D-14 2.78D-09 XBig12= 7.39D-10 3.03D-06.
     29 vectors produced by pass  6 Test12= 2.50D-14 2.78D-09 XBig12= 1.54D-12 9.77D-08.
      6 vectors produced by pass  7 Test12= 2.50D-14 2.78D-09 XBig12= 4.27D-15 7.46D-09.
      2 vectors produced by pass  8 Test12= 2.50D-14 2.78D-09 XBig12= 1.17D-15 5.33D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   217 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   46971 ScalPx= 1.13D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   46971 ScalPx= 1.13D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   46971 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 6.82D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.140083D+03  0.113438D+01  0.217097D+01
      2   0.113438D+01  0.114714D+03  0.400869D+01
      3   0.217097D+01  0.400869D+01  0.763566D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.576520D+00 -0.431961D+00  0.227873D+01
      2   0.132933D+02  0.125408D+02 -0.875773D+01
      3   0.162153D+01 -0.300020D+02 -0.129153D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.643496D+02  0.297674D+01  0.803511D+01
      2  -0.263076D+02 -0.702148D+01 -0.129203D+02
      3  -0.380420D+02  0.404474D+01  0.488522D+01
      4  -0.153440D+02  0.494146D+02  0.290288D+02
      5   0.217497D+02  0.307138D+02 -0.231113D+02
      6   0.957397D+01  0.705981D+01 -0.729503D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.354475D+01 -0.240022D+00 -0.570410D+00 -0.685123D+01 -0.394866D+00
      2  -0.240022D+00  0.310728D+01  0.851473D+00 -0.394866D+00 -0.680323D+00
      3  -0.570410D+00  0.851473D+00  0.179830D+01 -0.912262D+00  0.107913D+01
                 6             7             8             9            10 
      1  -0.912262D+00 -0.233437D+01 -0.241444D+00  0.306672D+01  0.429092D+01
      2   0.107913D+01 -0.241444D+00  0.159093D+01 -0.353907D+01  0.225298D+01
      3  -0.262947D+01  0.306672D+01 -0.353907D+01 -0.119739D+01  0.689309D+00
                11            12            13            14            15 
      1   0.225298D+01  0.689309D+00 -0.801753D+01 -0.853938D+00  0.243565D+00
      2  -0.368107D+01  0.108365D+00 -0.853938D+00 -0.191094D+01  0.969849D+00
      3   0.108365D+00 -0.164731D+01  0.243565D+00  0.969849D+00 -0.159346D+01
                16            17            18            19            20 
      1   0.930512D-01  0.939268D+00 -0.777137D+00 -0.194122D+02 -0.297504D+01
      2   0.939268D+00  0.371588D+00 -0.332847D+01 -0.297504D+01 -0.271992D+01
      3  -0.777137D+00 -0.332847D+01 -0.244726D+01 -0.850504D+00 -0.290258D+00
                21            22            23            24            25 
      1  -0.850504D+00 -0.395214D+01  0.149675D+01  0.107768D+01 -0.776905D+00
      2  -0.290258D+00  0.149675D+01  0.430236D-01 -0.108986D-02  0.894881D+00
      3  -0.214745D+01  0.107768D+01 -0.108986D-02 -0.539396D+00 -0.368519D+01
                26            27            28            29            30 
      1   0.894881D+00 -0.368519D+01  0.541649D+01 -0.824041D+00  0.313379D+00
      2   0.154648D+00 -0.562977D+00 -0.824041D+00 -0.395342D+01 -0.921091D+00
      3  -0.562977D+00 -0.144992D+01  0.313379D+00 -0.921091D+00 -0.224935D+01
                31            32            33            34            35 
      1   0.970459D+01  0.110157D+00  0.507984D-01  0.317109D+01 -0.118351D+00
      2   0.110157D+00  0.200153D+01 -0.440424D+00 -0.118351D+00 -0.107976D+01
      3   0.507984D-01 -0.440424D+00  0.203174D+01 -0.179190D+01  0.343723D+01
                36            37            38            39            40 
      1  -0.179190D+01 -0.445426D+01 -0.486381D+00 -0.591954D+00  0.601515D+01
      2   0.343723D+01 -0.486381D+00  0.327671D+01 -0.102225D+00  0.224578D+00
      3   0.824084D+00 -0.591954D+00 -0.102225D+00  0.113198D+01 -0.196694D+00
                41            42            43            44            45 
      1   0.224578D+00 -0.196694D+00  0.203628D+00 -0.960705D+00  0.239332D+01
      2   0.106277D+01 -0.999358D+00 -0.960705D+00 -0.798526D+00  0.399898D+01
      3  -0.999358D+00  0.251292D+01  0.239332D+01  0.399898D+01  0.264877D+01
                46            47            48            49            50 
      1   0.673108D+01  0.363490D+00 -0.645253D+00  0.118781D+01 -0.123568D+01
      2   0.363490D+00  0.341880D+01  0.368319D-01 -0.123568D+01 -0.108172D+00
      3  -0.645253D+00  0.368319D-01  0.332106D+01 -0.122664D+01 -0.303430D+00
                51            52            53            54            55 
      1  -0.122664D+01 -0.184541D+00 -0.118538D+01  0.560469D+01  0.500762D+01
      2  -0.303430D+00 -0.118538D+01  0.350241D+00  0.117005D+00  0.241692D+01
      3  -0.619079D-01  0.560469D+01  0.117005D+00  0.134138D+01  0.110294D+00
                56            57            58            59            60 
      1   0.241692D+01  0.110294D+00  0.870654D+01  0.533331D+01 -0.153617D+01
      2   0.364706D+01 -0.183474D+01  0.533331D+01  0.124911D+01 -0.466643D+00
      3  -0.183474D+01  0.235574D+01 -0.153617D+01 -0.466643D+00  0.494138D+01
                61            62            63            64            65 
      1  -0.171962D+00 -0.216909D+01  0.405264D+01  0.825900D+01  0.437126D+00
      2  -0.216909D+01 -0.272821D+01  0.483683D+01  0.437126D+00 -0.177143D+01
      3   0.405264D+01  0.483683D+01  0.551005D+01  0.121092D+01  0.137172D+01
                66            67            68            69            70 
      1   0.121092D+01 -0.823935D+00 -0.241340D+01  0.198776D+01  0.192801D+01
      2   0.137172D+01 -0.241340D+01  0.174008D+01 -0.104222D+01  0.165833D+01
      3  -0.224437D+00  0.198776D+01 -0.104222D+01 -0.282929D+01  0.164795D+00
                71            72            73            74            75 
      1   0.165833D+01  0.164795D+00  0.984031D+01  0.101148D+01  0.183891D+01
      2  -0.570725D+00 -0.189973D+01  0.101148D+01 -0.457302D+01  0.162070D+01
      3  -0.189973D+01 -0.483887D+01  0.183891D+01  0.162070D+01 -0.217967D+01
                76            77            78            79            80 
      1  -0.372576D+01 -0.441400D+01  0.204797D+01  0.604306D+01  0.278381D+01
      2  -0.441400D+01  0.374190D+01  0.500230D+00  0.278381D+01  0.267261D+01
      3   0.204797D+01  0.500230D+00 -0.363585D+01 -0.233645D+01 -0.359908D+01
                81            82            83            84            85 
      1  -0.233645D+01  0.277447D+00  0.412474D+00  0.390827D+00  0.145735D+01
      2  -0.359908D+01  0.412474D+00  0.228715D+00 -0.302939D+00 -0.846473D+00
      3  -0.432792D+01  0.390827D+00 -0.302939D+00  0.498824D+00 -0.879865D+00
                86            87            88            89            90 
      1  -0.846473D+00 -0.879865D+00  0.217107D+01 -0.126710D+01 -0.114227D+01
      2   0.254372D+01  0.982613D+00 -0.126710D+01  0.235742D+01  0.278022D+01
      3   0.982613D+00  0.288102D+01 -0.114227D+01  0.278022D+01  0.499496D+01
                91            92            93            94            95 
      1  -0.244979D+01 -0.781759D+00 -0.174594D+01 -0.318188D+01 -0.181550D+01
      2  -0.781759D+00 -0.777178D+00 -0.251096D+00 -0.181550D+01 -0.136408D+01
      3  -0.174594D+01 -0.251096D+00 -0.151937D+01 -0.646522D+00 -0.149636D+01
                96            97            98            99           100 
      1  -0.646522D+00 -0.484162D+01 -0.566349D+00 -0.317077D+01 -0.454076D+00
      2  -0.149636D+01 -0.566349D+00 -0.150150D+01 -0.216634D+01 -0.766798D-03
      3  -0.246240D+01 -0.317077D+01 -0.216634D+01 -0.769827D+01  0.673176D+00
               101           102           103           104           105 
      1  -0.766798D-03  0.673176D+00  0.100270D+01  0.166004D+00 -0.532423D+00
      2   0.587174D+00 -0.149853D+00  0.166004D+00  0.243151D+00  0.988893D+00
      3  -0.149853D+00  0.110333D+01 -0.532423D+00  0.988893D+00  0.231335D+01
               106           107           108           109           110 
      1   0.107344D+01  0.156879D+00 -0.493223D+00  0.787555D+00 -0.880006D+00
      2   0.156879D+00  0.132022D+01  0.515907D+00 -0.880006D+00  0.229465D+01
      3  -0.493223D+00  0.515907D+00  0.723308D+01 -0.340279D+00 -0.571702D+00
               111           112           113           114           115 
      1  -0.340279D+00 -0.178352D+01  0.856556D+00  0.766400D-01 -0.661562D+00
      2  -0.571702D+00  0.856556D+00 -0.889183D+01  0.917225D+00 -0.332389D+00
      3   0.687857D+00  0.766400D-01  0.917225D+00 -0.120008D+01  0.260592D+00
               116           117           118           119           120 
      1  -0.332389D+00  0.260592D+00 -0.137833D+02 -0.266550D+01  0.893227D-01
      2  -0.306844D+00 -0.714722D+00 -0.266550D+01 -0.136851D+01  0.149833D+00
      3  -0.714722D+00  0.436946D+00  0.893227D-01  0.149833D+00 -0.113473D+01
               121           122           123           124           125 
      1  -0.488785D+00 -0.115417D+01 -0.244396D+00 -0.281170D+01 -0.588903D+00
      2  -0.115417D+01 -0.107759D+01 -0.399119D-01 -0.588903D+00 -0.706017D+00
      3  -0.244396D+00 -0.399119D-01  0.222529D+00 -0.111558D+01 -0.544114D-01
               126           127           128           129           130 
      1  -0.111558D+01 -0.317223D+01  0.209135D+01 -0.123935D+00  0.240806D+01
      2  -0.544114D-01  0.209135D+01 -0.214940D+01 -0.232277D+00 -0.263363D+01
      3   0.785815D-01 -0.123935D+00 -0.232277D+00 -0.809415D-01 -0.205166D+00
               131           132           133           134           135 
      1  -0.263363D+01 -0.205166D+00 -0.377930D+00 -0.844237D-01  0.172045D-01
      2   0.678720D+01  0.475384D+00 -0.844237D-01  0.433837D+00  0.941014D-01
      3   0.475384D+00  0.697968D+00  0.172045D-01  0.941014D-01 -0.882024D-01
               136           137           138           139           140 
      1   0.297356D+01  0.309044D+01  0.766219D+00  0.283569D+01  0.430269D+01
      2   0.309044D+01  0.323532D+01  0.773628D+00  0.430269D+01  0.883365D+01
      3   0.766219D+00  0.773628D+00  0.505435D+00  0.880754D+00  0.170561D+01
               141           142           143           144           145 
      1   0.880754D+00  0.774148D+00  0.102786D+01  0.278245D+00  0.136579D+02
      2   0.170561D+01  0.102786D+01  0.184996D+01  0.310544D+00  0.398158D+00
      3   0.100356D+01  0.278245D+00  0.310544D+00  0.186565D+00  0.136359D+01
               146           147           148           149           150 
      1   0.398158D+00  0.136359D+01  0.309292D+00  0.161898D+01  0.353446D+00
      2   0.687249D+00  0.362484D-01  0.161898D+01  0.143315D+00  0.164800D+00
      3   0.362484D-01  0.850408D+00  0.353446D+00  0.164800D+00  0.963653D-01
               151           152           153           154           155 
      1   0.152211D+01  0.366021D+00 -0.307613D-02  0.408371D+01 -0.366500D+01
      2   0.366021D+00  0.712809D-01  0.209632D-01 -0.366500D+01  0.359459D+01
      3  -0.307613D-02  0.209632D-01  0.104613D+00 -0.322774D+00  0.297622D+00
               156           157           158           159           160 
      1  -0.322774D+00 -0.347763D+01  0.468008D+01  0.666167D+00 -0.335723D+00
      2   0.297622D+00  0.468008D+01 -0.766126D+01 -0.954618D+00  0.461230D+00
      3   0.420970D+00  0.666167D+00 -0.954618D+00 -0.723457D+00  0.937836D-02
               161           162           163           164           165 
      1   0.461230D+00  0.937836D-02 -0.208187D+01 -0.192324D+01 -0.426338D+00
      2  -0.107762D+01 -0.175450D+00 -0.192324D+01 -0.198799D+01 -0.643475D+00
      3  -0.175450D+00 -0.122311D+00 -0.426338D+00 -0.643475D+00 -0.317118D+00
               166           167           168           169           170 
      1  -0.182470D+01 -0.241688D+01 -0.538883D+00 -0.542870D+00 -0.792150D+00
      2  -0.241688D+01 -0.724137D+01 -0.173414D+01 -0.792150D+00 -0.169310D+01
      3  -0.538883D+00 -0.173414D+01 -0.105645D+01 -0.167387D+00 -0.497116D+00
               171           172           173           174           175 
      1  -0.167387D+00 -0.119731D+02  0.196734D+01 -0.182856D+01  0.499924D+00
      2  -0.497116D+00  0.196734D+01 -0.109561D+01  0.532330D-01 -0.610574D+00
      3  -0.330657D+00 -0.182856D+01  0.532330D-01 -0.117352D+01 -0.465763D+00
               176           177           178           179           180 
      1  -0.610574D+00 -0.465763D+00 -0.394042D+01  0.180103D-01 -0.116462D+01
      2   0.546110D+00 -0.305531D+00  0.180103D-01 -0.710445D+00  0.425594D+00
      3  -0.305531D+00  0.309121D-01 -0.116462D+01  0.425594D+00 -0.858225D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.144626D+01 -0.445129D+00  0.332913D+01 -0.134802D+01  0.474403D+00
      2  -0.858037D+00  0.276110D+01  0.203944D+01 -0.999943D+00  0.365365D+01
      3  -0.245808D+01 -0.146558D+02 -0.258609D+01  0.413448D+01 -0.998964D+00
                 6             7             8             9            10 
      1  -0.309010D+01  0.692455D+01  0.271898D+01  0.124187D+01  0.515807D-02
      2  -0.712780D+01 -0.584282D+01 -0.105303D+02 -0.375891D+01  0.303921D+01
      3  -0.261773D+01 -0.467853D+00 -0.480438D+01  0.413803D+01  0.918165D+00
                11            12            13            14            15 
      1   0.104426D+01 -0.305346D+01  0.135041D+01 -0.821455D+00 -0.301754D+01
      2   0.131855D+01 -0.155389D+01  0.146316D+01 -0.165471D+01 -0.111725D+01
      3  -0.713952D+00 -0.150997D+01  0.730736D+00  0.757723D+01  0.861934D-01
                16            17            18            19            20 
      1  -0.578680D+01  0.213249D+01 -0.123991D+01  0.993645D+00 -0.487194D+00
      2  -0.141609D+02 -0.130789D+01 -0.284067D+01  0.325847D+00 -0.163971D+01
      3  -0.518452D+01 -0.212356D+00  0.611308D+01 -0.707824D+01  0.801241D+01
                21            22            23            24            25 
      1  -0.107214D+01 -0.309956D+01 -0.141733D+01  0.158591D+01  0.143172D+01
      2  -0.126589D+01 -0.216704D+01  0.646574D+00  0.756437D+00 -0.139859D+02
      3   0.495668D+00  0.170022D+02  0.342865D+00  0.362539D+00  0.406171D+00
                26            27            28            29            30 
      1   0.107685D+02  0.215364D+01 -0.923802D+00 -0.411596D+00  0.365816D+01
      2   0.665023D+00 -0.500148D+00  0.239653D+01 -0.262824D+00 -0.143160D+01
      3   0.312451D+01 -0.917275D+00  0.603512D+01  0.773296D-01  0.184866D+01
                31            32            33            34            35 
      1  -0.105826D+01 -0.194867D+00 -0.270875D+01  0.507834D+01  0.213304D+01
      2   0.407709D+01  0.132425D+01  0.422881D+00 -0.135469D+02  0.364332D+00
      3   0.594067D+01 -0.587680D+01  0.120186D+00  0.206135D+01 -0.616683D-01
                36            37            38            39            40 
      1   0.161845D+00  0.120016D+01  0.764318D+00 -0.208982D+01  0.108176D+01
      2  -0.409027D+00 -0.289216D+00  0.125882D+01 -0.222317D+00  0.776552D+00
      3  -0.541789D+01 -0.266739D+01 -0.111782D+02 -0.248994D+01  0.545869D+01
                41            42            43            44            45 
      1   0.157755D+00 -0.368235D+01 -0.573457D+01  0.179600D+01 -0.150338D+01
      2  -0.315396D+01  0.722393D+01 -0.804219D+01  0.101541D+02  0.397553D+01
      3  -0.214834D+01  0.197797D+01 -0.380717D+00  0.116137D+01 -0.527836D+01
                46            47            48            49            50 
      1   0.175920D+00 -0.816171D+00 -0.666535D+00 -0.119410D+01 -0.291634D+01
      2  -0.209659D+00 -0.357974D+00  0.100589D+02 -0.369242D+01 -0.532957D+00
      3   0.478691D+00 -0.814692D+01  0.531081D+00  0.131722D+02  0.340002D+01
                51            52            53            54            55 
      1   0.351320D+01 -0.905098D+00  0.115065D+02  0.271537D+01 -0.238733D+01
      2  -0.518035D+00  0.930645D+01  0.414886D+00  0.285692D+01  0.242637D+01
      3   0.204875D+01  0.345309D+01  0.121019D+01  0.109336D+01  0.760083D+01
                56            57            58            59            60 
      1   0.853971D-01  0.117189D+00 -0.254571D+01 -0.155411D+01  0.207089D+01
      2   0.357055D+01 -0.342897D+01  0.542829D+01  0.283631D+01 -0.762365D+01
      3   0.517487D+01 -0.261688D+01  0.142099D+02 -0.446811D+01  0.948928D+00
                61            62            63            64            65 
      1   0.472280D+01  0.708040D+01 -0.798400D+00 -0.293191D+01 -0.208568D+01
      2  -0.145477D+02 -0.991851D+01 -0.872878D+01  0.420428D+00 -0.234973D+01
      3  -0.197343D+01 -0.699940D+01  0.101787D+02  0.186292D+02 -0.105592D+02
                66            67            68            69            70 
      1   0.961440D+00 -0.122352D+01 -0.103343D+01  0.433092D-01 -0.505030D+01
      2   0.477174D+01 -0.338107D+01  0.166241D+01  0.643623D+01 -0.354231D+01
      3   0.600372D+01  0.177435D+01  0.322428D+01 -0.153173D+01  0.640680D+01
                71            72            73            74            75 
      1   0.889384D+01  0.102955D+02  0.485906D+01 -0.225224D+01 -0.244262D+01
      2   0.708045D+01  0.108471D+02 -0.128236D+02 -0.611514D+01  0.731511D+01
      3   0.277394D+00 -0.573273D+01 -0.105514D+02 -0.189537D+02  0.184734D+01
                76            77            78            79            80 
      1   0.299439D+00  0.103524D+02 -0.797635D+01 -0.137660D+01 -0.287672D+01
      2  -0.787818D+01  0.552830D+00  0.779961D+01  0.225153D+01  0.793639D+01
      3  -0.110719D+02  0.216461D+02 -0.894532D+00  0.248190D+01  0.248887D+01
                81            82            83            84            85 
      1  -0.819848D+01 -0.467708D+00  0.639421D+00 -0.572072D+00  0.168451D+01
      2   0.125358D+02 -0.163869D+01  0.105391D+01 -0.820989D+00  0.218207D+01
      3  -0.764360D+01  0.260126D+01  0.943532D+00 -0.213429D+00  0.102200D+01
                86            87            88            89            90 
      1  -0.238345D+01 -0.654784D+01  0.322408D+01 -0.330367D+01 -0.118652D+02
      2  -0.265768D+01 -0.749691D+01 -0.495151D-01 -0.736361D+01 -0.116695D+02
      3   0.536784D+01  0.150895D+01  0.679199D+00  0.619480D+01  0.680602D+01
                91            92            93            94            95 
      1  -0.107918D+01  0.126580D+01 -0.471548D+00  0.142420D+01  0.688544D+00
      2   0.174941D+01  0.534535D+00  0.333314D+01 -0.281247D+00  0.137990D+01
      3  -0.184055D+01 -0.411800D+01 -0.449590D+00 -0.177691D+01 -0.152461D+01
                96            97            98            99           100 
      1  -0.152857D+01 -0.154634D+01  0.204957D+01 -0.136475D+01  0.753645D+00
      2   0.450048D+01  0.150561D+01  0.360201D+01  0.127901D+02 -0.183121D+01
      3  -0.350045D+01  0.100921D+00 -0.321905D+01 -0.488029D+01  0.671663D+00
               101           102           103           104           105 
      1   0.957538D+00  0.122339D+01  0.509084D-01  0.223084D+01  0.223700D+01
      2   0.879742D-01 -0.238039D+01 -0.752087D-01 -0.260510D+01 -0.552663D+01
      3   0.111546D+01 -0.733227D+00  0.121578D+01  0.320985D+00  0.249141D+01
               106           107           108           109           110 
      1  -0.325609D+00  0.501298D+01  0.106630D+02 -0.204443D+01  0.187552D+01
      2  -0.324261D+01 -0.206604D+01 -0.178163D+02 -0.204289D+00  0.185680D+01
      3  -0.104846D+01  0.361884D+01  0.232445D+01 -0.738946D+01  0.833745D+01
               111           112           113           114           115 
      1   0.162852D+01  0.185505D+01 -0.661440D+01 -0.362819D+01  0.786235D+00
      2  -0.114057D+01  0.167967D+01 -0.326944D+01  0.204498D+01 -0.150768D+01
      3  -0.315049D+00  0.103866D+02 -0.250342D+02  0.188938D+01  0.107613D+01
               116           117           118           119           120 
      1  -0.415994D+00  0.612651D+00 -0.458022D+00 -0.730735D+00 -0.212468D+01
      2   0.121627D+01 -0.946898D+00  0.765107D+01  0.796249D+00  0.691017D+01
      3  -0.111627D+01 -0.220283D+01  0.108262D+02 -0.454311D+01  0.652132D+00
               121           122           123           124           125 
      1  -0.409723D+00 -0.848304D+00 -0.386629D+00 -0.137693D+01  0.711367D+00
      2   0.148098D+01  0.528955D+00 -0.233904D+00  0.226288D+01 -0.825694D-01
      3   0.106655D+00 -0.237359D+01 -0.128751D+00  0.565707D+00 -0.120520D+01
               126           127           128           129           130 
      1  -0.835348D-02  0.114832D+01 -0.261430D+00  0.137787D+01 -0.477932D-01
      2   0.192948D+00  0.159031D+01 -0.212340D-01 -0.121060D+00 -0.435708D+00
      3   0.127798D+01 -0.107295D+02  0.478303D+01 -0.499799D+00  0.876138D+01
               131           132           133           134           135 
      1  -0.684856D-01 -0.335138D+01 -0.382336D+00  0.186660D+01  0.276957D+00
      2   0.848173D+00 -0.888404D+00 -0.135984D+01  0.341996D+00 -0.118698D+00
      3  -0.648240D+01 -0.741342D+00 -0.812041D+00  0.689780D-01  0.160216D-02
               136           137           138           139           140 
      1  -0.295308D+00 -0.278856D-01 -0.189156D+01 -0.184684D+00  0.443189D+00
      2   0.577771D+00  0.908595D+00  0.213277D+01  0.814262D+00  0.278012D+01
      3  -0.107530D+01 -0.348888D+01 -0.514693D+00 -0.219454D+01 -0.134092D+02
               141           142           143           144           145 
      1  -0.403180D+01  0.575604D+00  0.203941D+01 -0.510511D+00 -0.135896D+00
      2   0.325922D+01 -0.535056D+00 -0.278769D+00  0.494505D+00  0.206385D+01
      3  -0.232519D+01 -0.310589D+00 -0.260755D+01 -0.215765D+00  0.415998D+00
               146           147           148           149           150 
      1   0.439691D+00 -0.190937D+00  0.242299D+00  0.167789D-01 -0.407707D+00
      2  -0.742925D-01  0.616394D+01  0.135096D+01  0.348747D+00  0.389838D+00
      3  -0.528723D+01  0.189767D+00 -0.393825D+01 -0.205179D+00 -0.405226D+00
               151           152           153           154           155 
      1   0.533650D-01  0.470280D+00 -0.162454D-01  0.306084D+00 -0.604062D+00
      2  -0.288162D+01  0.407441D-01  0.557796D+00  0.296048D+00 -0.364081D+00
      3  -0.123864D+01 -0.499284D+00 -0.298950D+00  0.132237D+01 -0.483904D+01
               156           157           158           159           160 
      1   0.205052D+01  0.247971D+00  0.183819D+00 -0.364911D+01 -0.941638D+00
      2   0.231235D+01  0.459245D+00 -0.106447D+01 -0.298462D+01 -0.762950D+00
      3  -0.431993D-01 -0.335247D+01  0.124694D+02  0.114710D+01 -0.619515D+00
               161           162           163           164           165 
      1   0.168219D+01 -0.300873D+00  0.752333D+00  0.347434D+00 -0.148081D+01
      2   0.694559D+00 -0.257482D+00 -0.162677D+01 -0.936105D+00  0.323780D+00
      3   0.205290D+01  0.249951D+00  0.800667D+01  0.443899D+01  0.805701D+00
               166           167           168           169           170 
      1   0.723301D+00  0.104022D+01 -0.357842D+01  0.470220D+00  0.244215D+01
      2  -0.174153D+01 -0.163234D+01  0.527612D+00 -0.179996D+01 -0.471315D+00
      3   0.799498D+01  0.833464D+01  0.199440D+01  0.166131D+01  0.255305D+01
               171           172           173           174           175 
      1  -0.409410D+00  0.197552D+01  0.702748D+00  0.170997D+01  0.106450D+01
      2   0.243204D+00 -0.196836D+01 -0.221465D-01  0.518331D+01  0.940063D+00
      3   0.189948D+00 -0.142869D+02 -0.375827D+01 -0.240662D+01  0.468585D+00
               176           177           178           179           180 
      1   0.260336D+00 -0.445236D-01  0.730030D+00  0.651343D+00  0.989799D-01
      2   0.873857D-02  0.155990D+00  0.436448D+00 -0.105866D+01  0.146181D+01
      3   0.404918D+00 -0.134018D+01 -0.685681D+01 -0.202576D+01  0.214580D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.170865D+01  0.232565D+02  0.522294D+01 -0.282909D+02  0.590386D+01
      2  -0.438604D+01 -0.131208D+02  0.828235D+00  0.278862D+02 -0.113387D+02
      3   0.267739D+01 -0.101357D+02 -0.605117D+01  0.404663D+00  0.543486D+01
      4   0.191850D+02  0.243647D+01  0.499732D+01  0.673044D+01  0.127283D+02
      5   0.419849D+00  0.447977D+01  0.440127D+01 -0.287295D+01  0.832822D+01
      6   0.253878D+01 -0.230126D+01 -0.779485D+01  0.681624D+01 -0.584787D+01
                 6             7             8             9            10 
      1   0.151697D+01 -0.835385D+01  0.629503D+01  0.461481D+00  0.931534D+01
      2  -0.184302D+01  0.918416D+01 -0.858651D+01 -0.735668D+01 -0.745476D+01
      3   0.326049D+00 -0.830314D+00  0.229147D+01  0.689520D+01 -0.186059D+01
      4   0.919246D+01  0.211581D+01  0.748984D+01 -0.155591D+02 -0.111985D+02
      5  -0.149311D+02  0.197136D+02 -0.155012D+02 -0.806880D+01 -0.504452D-01
      6   0.756331D+01 -0.756539D+01  0.137803D+02 -0.629106D+00 -0.270077D+01
                11            12            13            14            15 
      1  -0.131798D+02 -0.283412D-01  0.497793D+01  0.615045D+01  0.453973D+01
      2   0.946951D+01 -0.247610D+01 -0.112160D+02 -0.928780D+01 -0.611447D+01
      3   0.371026D+01  0.250444D+01  0.623809D+01  0.313735D+01  0.157474D+01
      4  -0.189395D+02 -0.467716D+01  0.115314D+02 -0.125265D+02 -0.208929D+01
      5  -0.450810D+01 -0.494622D+01  0.813207D+00 -0.219648D+01 -0.571682D+00
      6  -0.296155D+01  0.664986D+01 -0.558017D+01 -0.915952D+01  0.410560D+01
                16            17            18            19            20 
      1   0.222338D+01  0.104965D+01 -0.162643D+02 -0.230598D+02 -0.460007D+00
      2  -0.426520D+01 -0.684833D+01  0.944202D+00  0.806208D+01  0.101031D+01
      3   0.204181D+01  0.579868D+01  0.153201D+02  0.149978D+02 -0.550307D+00
      4   0.524240D+00 -0.414127D+01 -0.658420D+01  0.155045D+02  0.404776D+01
      5  -0.626754D+00 -0.578459D+01 -0.617315D+01  0.144599D+01  0.953867D+00
      6   0.317967D+01  0.119719D+02  0.523575D+01 -0.585525D+00 -0.348038D+00
                21            22            23            24            25 
      1   0.107235D+01 -0.613193D-01 -0.295232D+01  0.935746D+00 -0.100872D+02
      2  -0.110985D+01 -0.170318D+01  0.101125D+02  0.352615D+01  0.272656D+01
      3   0.374934D-01  0.176450D+01 -0.716014D+01 -0.446190D+01  0.736063D+01
      4   0.141821D+01 -0.611602D+01 -0.264705D+01 -0.101780D+01 -0.255598D+01
      5   0.769506D-01 -0.370362D+01 -0.144694D+00  0.207329D+01  0.365147D+01
      6   0.686748D+00 -0.180908D+01  0.176754D+01 -0.311410D+01 -0.111071D+01
                26            27            28            29            30 
      1  -0.724163D+00 -0.925188D+01  0.671557D+01  0.156912D+02  0.492207D+01
      2   0.122445D+01 -0.343640D+01 -0.638809D+01 -0.106595D+02 -0.832797D+00
      3  -0.500289D+00  0.126883D+02 -0.327476D+00 -0.503173D+01 -0.408927D+01
      4  -0.376351D+01  0.284982D+01  0.378840D+01 -0.135475D+02 -0.423806D+00
      5   0.229000D+01 -0.406592D+00  0.172470D+01 -0.585555D+00 -0.203020D+01
      6   0.604391D+01 -0.255438D+01  0.267937D+01 -0.237990D+01 -0.765922D+01
                31            32            33            34            35 
      1  -0.293847D+01  0.770374D+00  0.183235D+01 -0.656737D+00  0.302176D+01
      2   0.117827D+02 -0.582822D+01 -0.206489D+01  0.282083D+01 -0.509201D+01
      3  -0.884422D+01  0.505784D+01  0.232543D+00 -0.216409D+01  0.207024D+01
      4   0.233981D+01  0.135810D+02  0.166127D+01 -0.466927D+00 -0.240921D+01
      5   0.145163D+01  0.148614D+01 -0.232713D+00  0.394330D+01  0.416472D+01
      6   0.521626D+01 -0.286313D+01  0.690392D+01 -0.209053D+01  0.142591D+02
                36            37            38            39            40 
      1  -0.152564D+02  0.290288D+01 -0.214592D+02 -0.230904D+01  0.272279D+02
      2   0.287569D+01 -0.239059D+01  0.130710D+02  0.758413D+00 -0.263477D+02
      3   0.123808D+02 -0.512291D+00  0.838815D+01  0.155062D+01 -0.880221D+00
      4   0.373076D+01 -0.109112D+02 -0.531635D+01 -0.494279D+01  0.710465D+01
      5  -0.145662D+01 -0.458220D+01 -0.474540D+01 -0.241647D+01 -0.120750D+01
      6   0.376917D+00 -0.562171D+01 -0.272124D+01  0.542509D+01 -0.571770D+01
                41            42            43            44            45 
      1   0.103319D+02  0.146281D+01  0.250923D+01 -0.322814D+01 -0.508253D+01
      2  -0.150518D+02 -0.640159D+01 -0.660448D+01 -0.488785D+01 -0.574117D+01
      3   0.471981D+01  0.493878D+01  0.409525D+01  0.811599D+01  0.108237D+02
      4  -0.536490D+01 -0.672833D+01 -0.533209D+01 -0.985210D+01  0.154716D+02
      5  -0.666939D+01  0.150574D+02  0.148586D+02  0.157120D+02  0.814113D+01
      6  -0.936735D+01  0.687149D+01  0.596199D+01  0.144438D+02  0.407738D+01
                46            47            48            49            50 
      1  -0.106857D+02 -0.108974D+01 -0.792590D+01  0.481067D+01 -0.203097D+02
      2   0.559148D+01  0.101436D+01  0.404697D+01 -0.276289D+01  0.180206D+02
      3   0.509427D+01  0.753843D-01  0.387893D+01 -0.204778D+01  0.228906D+01
      4  -0.170916D+01  0.261307D+02  0.236391D+00 -0.225872D+02 -0.635135D+01
      5  -0.925168D+01  0.963971D-01  0.225657D+02 -0.110590D+02 -0.270450D+01
      6   0.663808D+00  0.796036D+00  0.151282D+01 -0.286365D+01  0.375949D+01
                51            52            53            54            55 
      1  -0.599868D+01 -0.889318D+01 -0.658892D+01  0.142843D+02  0.184073D+02
      2   0.959454D+01  0.309192D+01  0.500516D+01 -0.184799D+02 -0.693013D+01
      3  -0.359586D+01  0.580126D+01  0.158376D+01  0.419558D+01 -0.114772D+02
      4  -0.355270D+01 -0.119664D+02  0.962628D+00 -0.594501D+00 -0.954949D+01
      5  -0.967596D+00  0.372090D+02  0.202545D+00  0.614311D+01 -0.426038D+00
      6  -0.698209D+01  0.132120D+00  0.653648D+01 -0.429931D+01  0.846941D+00
                56            57            58            59            60 
      1   0.744599D+00 -0.612515D+00 -0.136177D+01 -0.817483D+01  0.469377D+00
      2   0.286120D+01  0.229383D+00  0.817504D+01  0.363163D+01 -0.160450D+01
      3  -0.360580D+01  0.383132D+00 -0.681326D+01  0.454320D+01  0.113512D+01
      4  -0.231853D+02  0.687468D+01 -0.340430D+02 -0.445034D+01  0.423275D+01
      5   0.750586D+01 -0.154245D+02  0.124535D+02  0.310273D+01 -0.211293D+02
      6   0.191536D+01 -0.194574D+01  0.481303D+01  0.933142D+01 -0.132263D+02
                61            62            63            64            65 
      1   0.151224D+02  0.782950D+01 -0.195807D+01 -0.425778D+02  0.706534D+01
      2   0.229706D+01  0.196646D+01  0.100629D+02  0.261519D+02 -0.845301D+01
      3  -0.174194D+02 -0.979596D+01 -0.810484D+01  0.164259D+02  0.138767D+01
      4   0.154932D+02  0.156523D+02 -0.261504D+02  0.967710D+01  0.150369D+02
      5  -0.228381D+02 -0.241800D+02 -0.223022D+02 -0.132624D+02 -0.644882D+01
      6  -0.133898D+02 -0.456676D+01 -0.561946D+01  0.256142D+01  0.488841D+01
                66            67            68            69            70 
      1  -0.117493D+02  0.320650D+01 -0.233518D+01 -0.197165D+01 -0.123278D+02
      2   0.788279D+01 -0.626728D+01  0.165112D+02  0.744749D-01  0.942466D+01
      3   0.386651D+01  0.306078D+01 -0.141760D+02  0.189718D+01  0.290312D+01
      4  -0.525707D+01  0.204113D+02 -0.136747D+02  0.663213D+01 -0.827315D+01
      5   0.591487D+01 -0.141101D+02  0.597229D+01  0.125109D+02  0.252091D+01
      6  -0.289605D+01  0.309716D+01 -0.985396D+01  0.204770D+01  0.281955D+01
                71            72            73            74            75 
      1   0.319918D+00 -0.744011D+00 -0.606535D+02 -0.184741D+02 -0.173687D+01
      2  -0.115309D+01 -0.769086D+01  0.250761D+02  0.171298D+02  0.412116D+01
      3   0.833172D+00  0.843488D+01  0.355774D+02  0.134430D+01 -0.238429D+01
      4   0.602265D+01  0.100565D+02 -0.207029D+02  0.189059D+02 -0.847017D+01
      5   0.939104D+01  0.229881D+02 -0.348155D+01 -0.568326D+01  0.126922D+02
      6  -0.165567D+01 -0.170326D+02 -0.493854D+01 -0.654963D+01  0.483764D+01
                76            77            78            79            80 
      1  -0.694676D+01  0.220070D+02  0.234141D+01 -0.143111D+02 -0.863699D+00
      2   0.669817D+01 -0.250720D+02  0.736044D+01  0.625796D+01  0.296456D+01
      3   0.248584D+00  0.306496D+01 -0.970184D+01  0.805319D+01 -0.210086D+01
      4   0.213567D+02 -0.873095D+01 -0.381381D+01 -0.190586D+02 -0.134145D+02
      5  -0.112904D+02 -0.679403D+01  0.173581D+02  0.164501D+02  0.190151D+02
      6  -0.679051D+01 -0.525690D+01  0.925319D+01  0.916844D+01  0.985674D+01
                81            82            83            84            85 
      1   0.128208D+02  0.813369D+00 -0.334080D+01 -0.217805D+01 -0.577709D+01
      2   0.857138D+01 -0.595138D-01  0.904850D+00  0.901306D-01  0.170785D+01
      3  -0.213922D+02 -0.753855D+00  0.243595D+01  0.208792D+01  0.406924D+01
      4   0.224777D+02 -0.355692D+01  0.190981D+00  0.297028D+01  0.725920D+01
      5   0.160389D+02 -0.233635D+01  0.225888D+01 -0.709704D+00  0.540076D+01
      6   0.444691D-01  0.174967D+01 -0.111736D+01  0.823090D+00 -0.282005D+01
                86            87            88            89            90 
      1  -0.297456D+01  0.616947D+00 -0.781054D+01 -0.820964D+00 -0.608263D+01
      2   0.428246D+01  0.179661D+01  0.346556D+01  0.245868D+01  0.259581D+01
      3  -0.130790D+01 -0.241355D+01  0.434498D+01 -0.163771D+01  0.348682D+01
      4  -0.125568D+02 -0.618964D+01  0.973133D+01 -0.126852D+02 -0.137704D+02
      5  -0.518584D+01 -0.148063D+02  0.739012D+01 -0.139051D+02 -0.245284D+02
      6   0.487564D+01  0.119266D+02 -0.413465D+01  0.115848D+02  0.166542D+02
                91            92            93            94            95 
      1   0.641350D+01  0.137039D+01  0.433154D+01  0.934931D+00 -0.265060D+01
      2  -0.747774D+01 -0.130027D+01 -0.446783D+01 -0.284880D+01 -0.232263D+00
      3   0.106423D+01 -0.701236D-01  0.136284D+00  0.191387D+01  0.288287D+01
      4   0.493070D+01  0.801409D+01  0.259227D+01  0.112375D+02  0.648615D+01
      5   0.996467D+01  0.266677D+01  0.138755D+02  0.400613D+01  0.639344D+01
      6   0.315436D+01 -0.154421D+00  0.194207D+01  0.213029D+01  0.448894D+01
                96            97            98            99           100 
      1  -0.246208D+01  0.284614D+01 -0.334742D+01 -0.104629D+02  0.402392D+01
      2  -0.682628D+00 -0.950154D+01 -0.277660D+01 -0.154018D+02 -0.405210D+01
      3   0.314471D+01  0.665539D+01  0.612401D+01  0.258647D+02  0.281734D-01
      4   0.679969D+01  0.343666D+01  0.724159D+01  0.104795D+02  0.156177D+01
      5   0.107478D+02  0.204380D+02  0.988582D+01  0.334064D+02 -0.272560D+01
      6   0.105195D+02  0.558476D+01  0.696414D+01  0.117697D+02  0.929587D-02
               101           102           103           104           105 
      1   0.203435D+01 -0.646489D+01 -0.189716D+01 -0.417570D+01 -0.227986D+01
      2  -0.187740D+01  0.648881D+00  0.207632D+01  0.102121D+01 -0.597133D+01
      3  -0.156944D+00  0.581601D+01 -0.179161D+00  0.315449D+01  0.825119D+01
      4  -0.167942D+01 -0.528595D+00 -0.883211D-01 -0.224620D+01 -0.481378D+01
      5   0.753898D+00  0.298026D+00  0.422383D+01 -0.359728D+01 -0.104363D+02
      6   0.178038D+01 -0.149882D+01 -0.739890D-01  0.183623D+01  0.303969D+01
               106           107           108           109           110 
      1  -0.592604D+01 -0.481378D+00 -0.172495D+02 -0.259956D+01  0.988948D+01
      2   0.395414D+01 -0.422792D+01 -0.172741D+02  0.516734D+01 -0.111926D+02
      3   0.197190D+01  0.470930D+01  0.345236D+02 -0.256777D+01  0.130315D+01
      4  -0.304344D+01 -0.706413D+01 -0.491259D+01  0.956176D+00 -0.474069D+01
      5   0.724352D+01 -0.258015D+01 -0.302013D+02  0.205449D+01  0.295707D+00
      6   0.702788D+00  0.360092D+01 -0.956463D+01 -0.831054D-02  0.277184D+01
               111           112           113           114           115 
      1  -0.735424D+00  0.102009D+02 -0.285910D+02  0.284578D+01  0.141766D+01
      2  -0.609384D-01 -0.800754D+01  0.427700D+02 -0.166814D+01 -0.694971D+00
      3   0.796362D+00 -0.219333D+01 -0.141789D+02 -0.117764D+01 -0.722687D+00
      4   0.195293D+01  0.354210D+01  0.341608D+02 -0.396672D+01  0.252363D+01
      5  -0.229949D+01 -0.304929D+01 -0.159849D+01  0.454897D+01  0.209827D+00
      6  -0.271621D+01  0.877712D+00 -0.922988D+01  0.679028D+01 -0.161619D+01
               116           117           118           119           120 
      1   0.992180D+00 -0.557175D+01  0.829101D+02  0.118192D+02  0.254585D+01
      2   0.810778D+00  0.303630D+01 -0.388719D+02 -0.274779D+01  0.355809D+00
      3  -0.180296D+01  0.253546D+01 -0.440381D+02 -0.907144D+01 -0.290166D+01
      4   0.213755D+01  0.144530D+01  0.359646D+02  0.168196D+02 -0.336015D-01
      5   0.206665D+01 -0.128790D+01 -0.977480D+01 -0.198175D+01  0.107556D+02
      6   0.699949D+01 -0.134892D+01 -0.943790D+00 -0.163282D+01  0.389159D+01
               121           122           123           124           125 
      1   0.142575D+01  0.480036D+01  0.522116D+00  0.117472D+02  0.120541D+01
      2   0.228670D+01  0.104398D+01 -0.725309D+00 -0.510318D+01  0.203246D+00
      3  -0.371245D+01 -0.584435D+01  0.203193D+00 -0.664402D+01 -0.140866D+01
      4   0.132305D+02  0.827348D+01  0.386697D+00  0.546207D+01  0.419140D+01
      5   0.593140D+00 -0.281705D+00 -0.535181D+00  0.104989D+02  0.981059D+00
      6  -0.105625D+01 -0.582371D+00  0.931252D+00  0.346653D+01  0.106086D+01
               126           127           128           129           130 
      1   0.582896D+01 -0.366284D+01  0.642774D+01  0.102984D+01  0.779005D+01
      2  -0.534279D+01  0.594776D+01 -0.946625D+01 -0.875668D+00 -0.109532D+02
      3  -0.486174D+00 -0.228492D+01  0.303850D+01 -0.154168D+00  0.316317D+01
      4   0.186378D+01 -0.804650D+01  0.599277D+01  0.756845D+00  0.676416D+01
      5   0.688811D-01 -0.105334D+00  0.113200D+01  0.534896D+00  0.993227D+00
      6   0.478714D+00 -0.803722D+00 -0.349182D+00 -0.116063D+01 -0.820231D+00
               131           132           133           134           135 
      1  -0.248319D+02 -0.227543D+01  0.437516D+00 -0.127840D+01 -0.514494D+00
      2   0.336061D+02  0.191469D+01 -0.965581D+00  0.201848D+01  0.138536D+01
      3  -0.877423D+01  0.360737D+00  0.528065D+00 -0.740084D+00 -0.870864D+00
      4  -0.650111D+01 -0.362683D+00 -0.159469D-01 -0.122984D+00 -0.129088D+01
      5  -0.915298D+00 -0.119942D+01  0.624262D+00 -0.710263D+00 -0.160583D+00
      6   0.275823D+01  0.504430D+01 -0.564865D+00  0.155595D+01  0.579755D-01
               136           137           138           139           140 
      1   0.858939D+01  0.695888D+01  0.122315D+01  0.701076D+00 -0.106342D+02
      2   0.236107D+01  0.442849D+01  0.267924D+00  0.116416D+02  0.325614D+02
      3  -0.109505D+02 -0.113874D+02 -0.149108D+01 -0.123426D+02 -0.219272D+02
      4   0.236194D+02  0.269721D+02  0.555833D+01  0.289127D+02  0.492041D+02
      5   0.505666D+01  0.531931D+01  0.528420D+01  0.559663D+01  0.858121D+01
      6   0.385608D+01  0.429620D+01  0.302734D+01  0.550288D+01  0.110193D+02
               141           142           143           144           145 
      1  -0.206947D+01  0.107568D+01 -0.122704D+01 -0.786854D+00  0.104057D+03
      2   0.415746D+01  0.169340D+01  0.532691D+01  0.200538D+01 -0.597425D+02
      3  -0.208798D+01 -0.276909D+01 -0.409988D+01 -0.121852D+01 -0.443142D+02
      4   0.917188D+01  0.741461D+01  0.107919D+02  0.310259D+01  0.423300D+01
      5   0.555625D+01  0.213672D+01  0.252102D+01  0.185556D+01  0.128346D+02
      6   0.789851D+01  0.214375D+01  0.362734D+01  0.255733D+01 -0.196178D+01
               146           147           148           149           150 
      1   0.302523D+01  0.862963D+01  0.170251D+01  0.955831D+01  0.146608D+01
      2  -0.149525D+01 -0.585678D+01 -0.771347D+00 -0.477853D+01 -0.137419D+01
      3  -0.152999D+01 -0.277285D+01 -0.931165D+00 -0.477977D+01 -0.918847D-01
      4   0.838632D+01  0.187491D+00  0.154528D+02  0.120214D+01  0.138082D+01
      5   0.227604D+00  0.101746D+02  0.295198D+01  0.144677D+01  0.662149D+00
      6   0.528188D+00 -0.596649D-01  0.106241D+01 -0.169785D+00  0.172173D+01
               151           152           153           154           155 
      1   0.111612D+02  0.174597D+01  0.297928D+01  0.159535D+02 -0.108734D+02
      2  -0.657820D+01 -0.114908D+01 -0.164717D+01 -0.309378D+00 -0.335422D+01
      3  -0.458296D+01 -0.596887D+00 -0.133211D+01 -0.156441D+02  0.142276D+02
      4   0.309020D+01  0.118767D+01  0.597149D+00 -0.300697D+02  0.307438D+02
      5   0.244616D+01  0.371847D+00  0.198168D+01 -0.375043D+01  0.273716D+01
      6   0.944503D-01  0.606649D+00  0.451464D+00  0.124308D+01 -0.105380D+01
               156           157           158           159           160 
      1  -0.148812D+01 -0.548397D+01 -0.165919D+01 -0.147531D+00  0.663113D+00
      2   0.299177D+00 -0.970933D+01  0.239945D+02  0.140167D+01 -0.179018D+01
      3   0.118894D+01  0.151933D+02 -0.223353D+02 -0.125414D+01  0.112707D+01
      4   0.249298D+01  0.337332D+02 -0.487035D+02 -0.586500D+01  0.327288D+01
      5   0.487710D+01  0.486837D+01 -0.653709D+01 -0.496298D+01  0.167757D+01
      6  -0.259953D+01 -0.326128D+01  0.504880D+01  0.594365D+01 -0.125114D+01
               161           162           163           164           165 
      1  -0.134347D+01 -0.421054D+00 -0.497115D+01 -0.731202D+01 -0.292835D+01
      2   0.344327D+01  0.134890D+01  0.612135D+01  0.862530D+01  0.203519D+01
      3  -0.209980D+01 -0.927846D+00 -0.115020D+01 -0.131328D+01  0.893156D+00
      4  -0.544645D+01 -0.219313D+01  0.526309D+01  0.687493D+01  0.130778D+01
      5  -0.138668D+01 -0.576600D+00  0.414169D+00  0.948469D+00  0.177239D+01
      6   0.203890D+01  0.134558D+01  0.264088D+01  0.423960D+01  0.240629D+01
               166           167           168           169           170 
      1  -0.849630D+01 -0.289075D+02 -0.766400D+01 -0.243725D+01 -0.636534D+01
      2   0.103929D+02  0.365548D+02  0.687339D+01  0.263824D+01  0.743031D+01
      3  -0.189658D+01 -0.764729D+01  0.790616D+00 -0.200989D+00 -0.106496D+01
      4   0.560002D+01  0.196987D+01  0.528913D-01  0.172040D+01  0.945072D+00
      5   0.491157D+00 -0.597483D+00  0.476741D+00  0.111617D+01  0.646020D+00
      6   0.335985D+01  0.119743D+02  0.784951D+01  0.128492D+01  0.430868D+01
               171           172           173           174           175 
      1  -0.269526D+01  0.731772D+02 -0.105814D+02  0.120740D+02 -0.248071D+01
      2   0.289369D+01 -0.398048D+02  0.439600D+01 -0.733142D+01 -0.547659D+00
      3  -0.198429D+00 -0.333724D+02  0.618541D+01 -0.474263D+01  0.302837D+01
      4   0.193025D+01 -0.278050D+02  0.115709D+02 -0.300361D+01  0.771082D+01
      5   0.112934D+01  0.180027D+02 -0.141412D+01  0.109598D+02  0.344933D+01
      6   0.290132D+01 -0.437954D+01  0.353177D+00 -0.287183D+01  0.880551D-01
               176           177           178           179           180 
      1   0.219813D+01  0.364692D+01  0.201530D+02  0.113704D+01  0.506257D+01
      2   0.431529D+00 -0.290441D+01 -0.134985D+02 -0.803379D+00 -0.425318D+01
      3  -0.262966D+01 -0.742514D+00 -0.665450D+01 -0.333661D+00 -0.809393D+00
      4  -0.271811D+01  0.106013D+01 -0.407243D+01  0.227677D+01 -0.294984D+01
      5   0.191147D+01  0.781082D+00  0.114194D+02 -0.206557D+01  0.557977D+01
      6  -0.520384D+00  0.126887D+01 -0.168130D+01  0.169695D+01 -0.893718D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 20:28:06 2021, MaxMem=  5368709120 cpu:           16418.3 elap:            2060.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -14.31816 -10.22138 -10.19157 -10.18639 -10.18501
 Alpha  occ. eigenvalues --  -10.18443 -10.18400 -10.18055 -10.17908  -0.90268
 Alpha  occ. eigenvalues --   -0.85529  -0.76877  -0.74725  -0.72234  -0.63612
 Alpha  occ. eigenvalues --   -0.60640  -0.57727  -0.52591  -0.49477  -0.46518
 Alpha  occ. eigenvalues --   -0.45081  -0.43234  -0.42350  -0.41808  -0.41359
 Alpha  occ. eigenvalues --   -0.38593  -0.37402  -0.35533  -0.33969  -0.33329
 Alpha  occ. eigenvalues --   -0.25623  -0.25203  -0.24469
 Alpha virt. eigenvalues --   -0.01859  -0.01169  -0.00826  -0.00031   0.00520
 Alpha virt. eigenvalues --    0.01332   0.02103   0.02168   0.03389   0.04428
 Alpha virt. eigenvalues --    0.04489   0.05018   0.05600   0.06776   0.07613
 Alpha virt. eigenvalues --    0.07685   0.08662   0.09127   0.09178   0.09685
 Alpha virt. eigenvalues --    0.09968   0.10312   0.10457   0.10843   0.11032
 Alpha virt. eigenvalues --    0.11641   0.12011   0.12260   0.12660   0.13220
 Alpha virt. eigenvalues --    0.14000   0.14586   0.14835   0.14963   0.15267
 Alpha virt. eigenvalues --    0.16044   0.16659   0.16837   0.17823   0.19022
 Alpha virt. eigenvalues --    0.19204   0.19829   0.20322   0.21300   0.21807
 Alpha virt. eigenvalues --    0.22561   0.22918   0.23482   0.24081   0.24588
 Alpha virt. eigenvalues --    0.24916   0.25337   0.25707   0.26173   0.26246
 Alpha virt. eigenvalues --    0.27067   0.27309   0.28004   0.28680   0.29468
 Alpha virt. eigenvalues --    0.30308   0.31329   0.31677   0.31971   0.32661
 Alpha virt. eigenvalues --    0.33369   0.33632   0.34693   0.34849   0.35388
 Alpha virt. eigenvalues --    0.36977   0.37480   0.37805   0.38528   0.39510
 Alpha virt. eigenvalues --    0.40446   0.40775   0.41113   0.42032   0.42579
 Alpha virt. eigenvalues --    0.44299   0.44422   0.44816   0.45812   0.46597
 Alpha virt. eigenvalues --    0.46939   0.47246   0.48035   0.48954   0.49779
 Alpha virt. eigenvalues --    0.50084   0.51567   0.51757   0.52970   0.53446
 Alpha virt. eigenvalues --    0.54404   0.54903   0.55412   0.56256   0.56453
 Alpha virt. eigenvalues --    0.56755   0.57329   0.57849   0.58733   0.59001
 Alpha virt. eigenvalues --    0.59878   0.60318   0.60967   0.61766   0.62540
 Alpha virt. eigenvalues --    0.63721   0.64218   0.64858   0.65466   0.65756
 Alpha virt. eigenvalues --    0.66352   0.66440   0.67524   0.67934   0.69469
 Alpha virt. eigenvalues --    0.70585   0.70991   0.72613   0.73044   0.74080
 Alpha virt. eigenvalues --    0.75301   0.75963   0.76572   0.77193   0.77692
 Alpha virt. eigenvalues --    0.77895   0.78824   0.79653   0.80631   0.81244
 Alpha virt. eigenvalues --    0.81592   0.82687   0.83375   0.85297   0.85833
 Alpha virt. eigenvalues --    0.87348   0.89297   0.90984   0.92718   0.93169
 Alpha virt. eigenvalues --    0.94965   0.95829   0.96453   0.97939   0.98297
 Alpha virt. eigenvalues --    0.99784   1.00603   1.01657   1.05050   1.06746
 Alpha virt. eigenvalues --    1.08819   1.09394   1.10348   1.13637   1.16029
 Alpha virt. eigenvalues --    1.17522   1.23698   1.24456   1.29547   1.29862
 Alpha virt. eigenvalues --    1.31015   1.31708   1.33629   1.35889   1.36755
 Alpha virt. eigenvalues --    1.37491   1.40090   1.40354   1.41413   1.42870
 Alpha virt. eigenvalues --    1.43793   1.45290   1.46805   1.47339   1.49232
 Alpha virt. eigenvalues --    1.50195   1.50822   1.51674   1.52884   1.54174
 Alpha virt. eigenvalues --    1.54914   1.56437   1.57933   1.60275   1.61172
 Alpha virt. eigenvalues --    1.63391   1.64133   1.67073   1.67424   1.68208
 Alpha virt. eigenvalues --    1.70284   1.71184   1.72919   1.73696   1.74494
 Alpha virt. eigenvalues --    1.75072   1.77053   1.77483   1.78386   1.80826
 Alpha virt. eigenvalues --    1.82863   1.83455   1.84912   1.85976   1.87627
 Alpha virt. eigenvalues --    1.88180   1.88674   1.90886   1.92491   1.94702
 Alpha virt. eigenvalues --    1.95916   1.97405   1.98193   1.99416   2.01123
 Alpha virt. eigenvalues --    2.02842   2.03754   2.05543   2.07263   2.08039
 Alpha virt. eigenvalues --    2.09849   2.11234   2.13223   2.13290   2.14646
 Alpha virt. eigenvalues --    2.15218   2.17615   2.19722   2.23794   2.24678
 Alpha virt. eigenvalues --    2.26362   2.30077   2.30640   2.32095   2.35645
 Alpha virt. eigenvalues --    2.36538   2.39657   2.41267   2.43381   2.48224
 Alpha virt. eigenvalues --    2.49369   2.51742   2.52705   2.54165   2.55620
 Alpha virt. eigenvalues --    2.57264   2.62551   2.64469   2.66860   2.68061
 Alpha virt. eigenvalues --    2.74376   2.75925   2.78929   2.81635   2.85134
 Alpha virt. eigenvalues --    2.88368   2.91637   2.98579   3.03061   3.06164
 Alpha virt. eigenvalues --    3.09693   3.14257   3.20169   3.35167   3.44651
 Alpha virt. eigenvalues --    3.54220   3.56974   4.50875
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   16.504108  -8.001764   4.929988  -7.139017   6.700518  -6.776371
     2  C   -8.001764  26.577062 -11.431655   3.927559  -7.122833   5.717980
     3  C    4.929988 -11.431655  21.012192  -9.614731   5.138768  -6.009517
     4  C   -7.139017   3.927559  -9.614731  24.790974 -10.349647   5.993312
     5  C    6.700518  -7.122833   5.138768 -10.349647  18.746377  -6.869572
     6  C   -6.776371   5.717980  -6.009517   5.993312  -6.869572  14.243064
     7  C   -0.141548  -2.719442  -0.200758  -1.499392   0.153742  -0.121735
     8  N   -0.100562   0.163183  -0.275370   0.389473  -0.239230   0.069616
     9  C    0.167024  -0.337824   0.003777  -0.156331   0.117115  -0.090621
    10  H    0.000786  -0.045734   0.018623   0.092544   0.072643  -0.001195
    11  H   -0.027478   0.143537   0.265322   0.159808   0.008073   0.021318
    12  H   -0.051287   0.044585  -0.184268   0.194107  -0.002019   0.018089
    13  H   -0.067902  -0.189174  -0.160360   0.036402   0.036591  -0.019613
    14  H    0.069933   0.087940   0.283376  -0.211564  -0.018968  -0.004480
    15  H    0.225324  -0.400179   0.637503  -2.919966   1.299450  -0.290311
    16  H   -0.515596   0.239185  -0.313643   1.658936  -2.424075   0.662499
    17  H    0.867139  -0.210773   0.140195  -0.285517   0.827404  -1.900415
    18  H   -2.109712   1.339505  -0.499608   0.252203  -0.441257   0.808567
    19  H    1.056495  -2.526364   0.761855  -0.262763   0.131039  -0.252880
    20  H    0.006788  -0.014031   0.116079  -0.091776   0.003642  -0.005140
               7          8          9         10         11         12
     1  C   -0.141548  -0.100562   0.167024   0.000786  -0.027478  -0.051287
     2  C   -2.719442   0.163183  -0.337824  -0.045734   0.143537   0.044585
     3  C   -0.200758  -0.275370   0.003777   0.018623   0.265322  -0.184268
     4  C   -1.499392   0.389473  -0.156331   0.092544   0.159808   0.194107
     5  C    0.153742  -0.239230   0.117115   0.072643   0.008073  -0.002019
     6  C   -0.121735   0.069616  -0.090621  -0.001195   0.021318   0.018089
     7  C   10.929641   0.086369   0.416629  -0.192033  -1.198818  -0.288152
     8  N    0.086369   6.539681  -0.069251   0.331100   0.029656   0.014362
     9  C    0.416629  -0.069251   4.271608  -0.062470  -0.021019   0.324025
    10  H   -0.192033   0.331100  -0.062470   0.910466   0.034001  -0.005933
    11  H   -1.198818   0.029656  -0.021019   0.034001   2.110083   0.101366
    12  H   -0.288152   0.014362   0.324025  -0.005933   0.101366   1.845425
    13  H    0.511190  -0.042636   0.088993   0.008864  -0.082106  -0.253137
    14  H    0.035797  -0.034377   0.031274  -0.011095  -0.055503  -0.454053
    15  H    0.301960  -0.233297   0.025328  -0.020322   0.023440  -0.000229
    16  H    0.032081   0.001829   0.000432  -0.000609  -0.001442  -0.000868
    17  H   -0.020597   0.002235   0.000133   0.000229   0.001386   0.000514
    18  H    0.043671  -0.002523  -0.004652   0.000097   0.000788   0.000150
    19  H   -0.230454   0.006725   0.103174   0.000703   0.005628  -0.000462
    20  H   -0.030713   0.250944  -0.015308  -0.098373  -0.042111  -0.004688
              13         14         15         16         17         18
     1  C   -0.067902   0.069933   0.225324  -0.515596   0.867139  -2.109712
     2  C   -0.189174   0.087940  -0.400179   0.239185  -0.210773   1.339505
     3  C   -0.160360   0.283376   0.637503  -0.313643   0.140195  -0.499608
     4  C    0.036402  -0.211564  -2.919966   1.658936  -0.285517   0.252203
     5  C    0.036591  -0.018968   1.299450  -2.424075   0.827404  -0.441257
     6  C   -0.019613  -0.004480  -0.290311   0.662499  -1.900415   0.808567
     7  C    0.511190   0.035797   0.301960   0.032081  -0.020597   0.043671
     8  N   -0.042636  -0.034377  -0.233297   0.001829   0.002235  -0.002523
     9  C    0.088993   0.031274   0.025328   0.000432   0.000133  -0.004652
    10  H    0.008864  -0.011095  -0.020322  -0.000609   0.000229   0.000097
    11  H   -0.082106  -0.055503   0.023440  -0.001442   0.001386   0.000788
    12  H   -0.253137  -0.454053  -0.000229  -0.000868   0.000514   0.000150
    13  H    1.860732  -0.337198   0.004503  -0.000775   0.000249  -0.000934
    14  H   -0.337198   1.929391   0.000825   0.000719  -0.000093   0.000584
    15  H    0.004503   0.000825   3.632114  -0.188122  -0.031402   0.021975
    16  H   -0.000775   0.000719  -0.188122   2.819200  -0.146384  -0.038837
    17  H    0.000249  -0.000093  -0.031402  -0.146384   2.705828  -0.153437
    18  H   -0.000934   0.000584   0.021975  -0.038837  -0.153437   2.840602
    19  H   -0.074780   0.008193  -0.055420   0.019692  -0.027488  -0.255494
    20  H    0.000499   0.006954   0.001465   0.001472  -0.000176   0.000378
              19         20
     1  C    1.056495   0.006788
     2  C   -2.526364  -0.014031
     3  C    0.761855   0.116079
     4  C   -0.262763  -0.091776
     5  C    0.131039   0.003642
     6  C   -0.252880  -0.005140
     7  C   -0.230454  -0.030713
     8  N    0.006725   0.250944
     9  C    0.103174  -0.015308
    10  H    0.000703  -0.098373
    11  H    0.005628  -0.042111
    12  H   -0.000462  -0.004688
    13  H   -0.074780   0.000499
    14  H    0.008193   0.006954
    15  H   -0.055420   0.001465
    16  H    0.019692   0.001472
    17  H   -0.027488  -0.000176
    18  H   -0.255494   0.000378
    19  H    3.679183  -0.003213
    20  H   -0.003213   1.041934
 Mulliken charges:
               1
     1  C    0.403133
     2  C    0.759234
     3  C    1.382233
     4  C    1.035388
     5  C    0.232237
     6  C    0.807406
     7  C    0.132561
     8  N    0.112073
     9  C    1.207965
    10  H   -0.032291
    11  H   -0.475929
    12  H   -0.297528
    13  H   -0.319408
    14  H   -0.327656
    15  H   -1.034637
    16  H   -0.805692
    17  H   -0.769030
    18  H   -0.802066
    19  H   -1.083367
    20  H   -0.124628
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.398933
     2  C   -0.324133
     3  C    1.382233
     4  C    0.000751
     5  C   -0.573455
     6  C    0.038377
     7  C   -0.343368
     8  N   -0.044845
     9  C    0.263373
 Electronic spatial extent (au):  <R**2>=           1299.1820
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.0978    Y=             -0.7262    Z=              0.6130  Tot=              1.4520
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -48.5828   YY=            -54.2736   ZZ=            -58.6290
   XY=              0.3218   XZ=             -0.1098   YZ=              3.4774
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              5.2457   YY=             -0.4451   ZZ=             -4.8005
   XY=              0.3218   XZ=             -0.1098   YZ=              3.4774
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -14.9485  YYY=             -1.2655  ZZZ=             -0.2706  XYY=              3.8199
  XXY=              3.8069  XXZ=              0.0853  XZZ=             -8.2628  YZZ=              0.1225
  YYZ=              3.5938  XYZ=             -2.8972
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1120.2835 YYYY=           -438.9772 ZZZZ=           -129.3737 XXXY=            -27.1903
 XXXZ=             23.1668 YYYX=             -1.4264 YYYZ=             16.8979 ZZZX=              1.1194
 ZZZY=              2.2806 XXYY=           -272.9980 XXZZ=           -238.6990 YYZZ=           -103.8256
 XXYZ=             11.6038 YYXZ=             -6.0902 ZZXY=             -1.3441
 N-N= 4.253370711197D+02 E-N=-1.700027963040D+03  KE= 3.640821964488D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 20:28:07 2021, MaxMem=  5368709120 cpu:               3.1 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-4.48079380D-01-2.69225474D-01 2.51130787D-01
 Polarizability= 1.26729849D+02 9.03546457D-01 1.04139862D+02
                 2.81517985D+00 4.83740742D+00 6.70563751D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -1.0870   -1.0855        0.5707    0.5672
 2      1.0870    1.0855       -2.0038   -2.0043      -12.6857  -12.6842
 3     -0.5707   -0.5672       31.8661   31.8631        2.0044    2.0043
 4      2.0038    2.0043        0.0000    0.0000       -0.5669   -0.5672
 5    -19.1804  -19.1789        0.5669    0.5672       -1.0907   -1.0855
 6     -2.0044   -2.0043        1.0907    1.0855       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        3.2564    3.2564        1.7016    1.7016
 2      6.0130    6.0130        0.0000    0.0000        1.7016    1.7016
 3      6.0130    6.0130        3.2564    3.2564       -0.0000    0.0000
 4      3.2564    3.2564       -6.0130   -6.0130      -38.0525  -38.0525
 5     -1.7016   -1.7016       95.5893   95.5893        6.0130    6.0130
 6    -57.5367  -57.5367        1.7016    1.7016       -3.2564   -3.2564
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0796    0.0000        4.3244    4.3419       -2.2339   -2.2688
 2     -4.3760   -4.3419        7.9483    8.0174       50.6847   50.7367
 3      2.0863    2.2688     -127.2936 -127.4523       -7.7925   -8.0174
 4     -8.0100   -8.0174       -0.1309    0.0000        2.4037    2.2688
 5     76.7073   76.7156       -2.0071   -2.2688        3.9124    4.3419
 6      7.9901    8.0174       -4.8006   -4.3419        0.0229    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1785    0.0000        4.0860    3.9003      -12.8750  -12.8614
 2     -3.9789   -3.9003      -38.5961  -38.7597      -25.9849  -26.2346
 3     13.0312   12.8614      -24.9850  -24.6775       39.5160   38.7597
 4     38.8357   38.7597        0.2476    0.0000       12.3919   12.8614
 5     50.7145   50.9121      -13.2481  -12.8614        3.3674    3.9003
 6    -39.0726  -38.7597       -4.1923   -3.9003        0.3190    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     11.5640   11.7344        7.8185    8.0490       14.6316   14.6898
 2     72.6327   72.5259        1.3820    1.0680       14.1654   14.6898
 3     72.5701   72.5259        8.4387    8.0490       20.4800   20.9554
 4      7.0201    6.9810      -60.5880  -60.7915      -35.0912  -35.5397
 5      6.4724    6.2656      -45.5478  -45.6497       60.8485   60.7915
 6     80.9111   81.1895       -6.8371   -6.2656       -7.2473   -6.9810
 Full mass-weighted force constant matrix:
 Low frequencies ---   -4.9637   -3.5027   -0.0008   -0.0008   -0.0007    5.4256
 Low frequencies ---   38.3573  140.8983  226.9340
 Diagonal vibrational polarizability:
       16.3409826       6.7537814      20.4588085
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     38.3382               140.8978               226.9339
 Red. masses --      3.1692                 3.0957                 2.1737
 Frc consts  --      0.0027                 0.0362                 0.0660
 IR Inten    --      0.1854                 3.1281                 2.8062
 RamAct Fr= 1--      2.4085                 4.0906                 0.2391
  Dep-P Fr= 1--      0.7476                 0.7261                 0.6842
  Dep-U Fr= 1--      0.8555                 0.8413                 0.8125
 Alpha2 Fr= 1--      0.0001                 0.0017                 0.0003
 Beta2  Fr= 1--      0.3434                 0.5736                 0.0324
 AlphaG Fr= 1--      0.0009                 0.0002                -0.0004
 Gamma2 Fr= 1--     -1.7524                -1.0948                 0.0923
 Delta2 Fr= 1--     -1.3146                -0.4708                 0.1124
 Raman1 Fr= 1--       9.634                 16.362                  0.956
 ROA1   Fr= 1--    -210.295               -120.168                 12.460
 CID1   Fr= 1--     -21.828                 -7.344                 13.027
 Raman2 Fr= 1--       4.121                  6.883                  0.389
 ROA2   Fr= 1--     -31.540                -22.509                  1.317
 CID2   Fr= 1--      -7.653                 -3.270                  3.390
 Raman3 Fr= 1--       8.242                 13.765                  0.777
 ROA3   Fr= 1--    -210.295               -120.168                 12.460
 CID3   Fr= 1--     -25.514                 -8.730                 16.034
 RC180  Fr= 1--       0.711                  0.683                  0.625
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.14    -0.05  -0.03   0.07     0.06   0.04  -0.01
     2   6    -0.01  -0.02   0.15    -0.02   0.02  -0.14     0.06  -0.07  -0.03
     3   6     0.00   0.01   0.01    -0.01   0.04  -0.19    -0.01  -0.11  -0.04
     4   6     0.02   0.03  -0.13    -0.00   0.03  -0.17    -0.08  -0.08  -0.02
     5   6     0.03   0.03  -0.15    -0.03  -0.02   0.03    -0.10   0.03   0.02
     6   6     0.01   0.01  -0.01    -0.05  -0.05   0.19    -0.02   0.08   0.01
     7   6    -0.00   0.04  -0.01    -0.02   0.02  -0.04    -0.01  -0.04  -0.01
     8   7     0.02   0.04   0.21    -0.04  -0.00   0.08     0.16   0.05   0.02
     9   6    -0.04  -0.12  -0.20     0.19   0.00   0.07    -0.10   0.05   0.02
    10   1     0.06  -0.10   0.26     0.17   0.01   0.07     0.47   0.13  -0.01
    11   1     0.01   0.22  -0.09    -0.16   0.01  -0.01    -0.09  -0.02  -0.00
    12   1    -0.04  -0.32  -0.13     0.43  -0.02   0.04     0.16  -0.08   0.02
    13   1    -0.09  -0.13  -0.38     0.15  -0.01  -0.05    -0.38  -0.06  -0.14
    14   1    -0.04  -0.05  -0.23     0.15   0.03   0.32    -0.15   0.35   0.18
    15   1     0.03   0.04  -0.23     0.01   0.04  -0.23    -0.12  -0.11  -0.05
    16   1     0.04   0.05  -0.26    -0.02  -0.03   0.09    -0.17   0.06   0.03
    17   1     0.01   0.01  -0.02    -0.08  -0.09   0.40    -0.02   0.15   0.03
    18   1    -0.03  -0.04   0.25    -0.06  -0.04   0.16     0.13   0.09  -0.01
    19   1    -0.02  -0.04   0.26    -0.02   0.03  -0.19     0.13  -0.11  -0.02
    20   1     0.00   0.09   0.23    -0.10  -0.03   0.30     0.07   0.13   0.32
                      4                      5                      6
                      A                      A                      A
 Frequencies --    251.5487               259.7077               333.6777
 Red. masses --      1.0306                 1.4496                 3.0139
 Frc consts  --      0.0384                 0.0576                 0.1977
 IR Inten    --     32.0808                14.8692                 1.6611
 RamAct Fr= 1--      0.1742                 0.3684                 1.6146
  Dep-P Fr= 1--      0.4424                 0.7491                 0.0397
  Dep-U Fr= 1--      0.6134                 0.8565                 0.0764
 Alpha2 Fr= 1--      0.0011                 0.0000                 0.0327
 Beta2  Fr= 1--      0.0178                 0.0526                 0.0206
 AlphaG Fr= 1--      0.0010                 0.0003                 0.0097
 Gamma2 Fr= 1--      0.1326                 0.3456                 0.0053
 Delta2 Fr= 1--     -0.0324                -0.0059                 0.0233
 Raman1 Fr= 1--       0.697                  1.474                  6.458
 ROA1   Fr= 1--      11.688                 32.988                  1.250
 CID1   Fr= 1--      16.775                 22.386                  0.194
 Raman2 Fr= 1--       0.214                  0.631                  0.247
 ROA2   Fr= 1--       3.441                  8.341                 -0.061
 CID2   Fr= 1--      16.100                 13.216                 -0.245
 Raman3 Fr= 1--       0.427                  1.262                  0.494
 ROA3   Fr= 1--      11.688                 32.988                  1.250
 CID3   Fr= 1--      27.346                 26.135                  2.534
 RC180  Fr= 1--       0.227                  0.713                 -0.847
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.00    -0.04  -0.01   0.00    -0.08  -0.02   0.04
     2   6    -0.01   0.01  -0.01    -0.04   0.03   0.06    -0.07  -0.06   0.10
     3   6    -0.00   0.01   0.00    -0.01   0.05   0.04    -0.03  -0.03  -0.01
     4   6     0.01   0.01  -0.00     0.02   0.03   0.07    -0.10  -0.03   0.09
     5   6     0.01  -0.00   0.00     0.03  -0.01   0.01    -0.11   0.00   0.02
     6   6     0.00  -0.01   0.01     0.00  -0.02  -0.05    -0.10   0.03  -0.11
     7   6     0.00  -0.01  -0.00     0.01   0.00  -0.01     0.03   0.04  -0.08
     8   7    -0.00  -0.01  -0.01    -0.04  -0.03  -0.09     0.14   0.09  -0.01
     9   6    -0.02  -0.01  -0.01     0.05  -0.04  -0.02     0.23  -0.02  -0.03
    10   1     0.49   0.20  -0.10     0.31   0.20  -0.18     0.11   0.01   0.02
    11   1     0.02  -0.02  -0.00     0.06  -0.04  -0.01    -0.02   0.08  -0.08
    12   1    -0.35   0.17  -0.02     0.42  -0.29   0.01     0.17   0.12  -0.07
    13   1     0.21   0.07   0.23    -0.22  -0.13  -0.35     0.53   0.11   0.06
    14   1     0.03  -0.27  -0.26    -0.01   0.25   0.26     0.25  -0.35   0.01
    15   1     0.04   0.03  -0.01     0.06   0.06   0.09    -0.14  -0.07   0.13
    16   1     0.01  -0.00  -0.00     0.06  -0.02  -0.00    -0.12   0.00   0.03
    17   1    -0.00  -0.01   0.01     0.01  -0.03  -0.13    -0.09   0.07  -0.25
    18   1    -0.01  -0.00  -0.01    -0.07  -0.02  -0.01    -0.04  -0.01   0.06
    19   1    -0.01   0.02  -0.02    -0.07   0.04   0.08    -0.08  -0.08   0.16
    20   1    -0.15  -0.11   0.53    -0.15  -0.16   0.32     0.16   0.23  -0.11
                      7                      8                      9
                      A                      A                      A
 Frequencies --    396.3804               415.3491               465.0528
 Red. masses --      3.3102                 2.9778                 2.8227
 Frc consts  --      0.3064                 0.3027                 0.3597
 IR Inten    --      7.6347                 0.0411                 1.6174
 RamAct Fr= 1--      1.1203                 0.0800                 3.0177
  Dep-P Fr= 1--      0.7119                 0.3175                 0.1025
  Dep-U Fr= 1--      0.8317                 0.4819                 0.1859
 Alpha2 Fr= 1--      0.0007                 0.0008                 0.0525
 Beta2  Fr= 1--      0.1553                 0.0064                 0.0935
 AlphaG Fr= 1--     -0.0031                -0.0041                 0.0386
 Gamma2 Fr= 1--      0.3988                -0.4088                 0.3223
 Delta2 Fr= 1--      0.1134                -0.0636                -0.0236
 Raman1 Fr= 1--       4.481                  0.320                 12.071
 ROA1   Fr= 1--      41.911                -41.283                 30.188
 CID1   Fr= 1--       9.353               -129.065                  2.501
 Raman2 Fr= 1--       1.863                  0.077                  1.122
 ROA2   Fr= 1--       8.664                 -9.303                  7.924
 CID2   Fr= 1--       4.649               -120.693                  7.063
 Raman3 Fr= 1--       3.727                  0.154                  2.244
 ROA3   Fr= 1--      41.911                -41.283                 30.188
 CID3   Fr= 1--      11.245               -267.805                 13.453
 RC180  Fr= 1--       0.663                 -0.036                 -0.628
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.01  -0.07     0.02   0.04  -0.21     0.09   0.02  -0.00
     2   6    -0.07   0.07  -0.07    -0.02  -0.03   0.21     0.06  -0.04  -0.01
     3   6    -0.01   0.06   0.12    -0.00   0.00  -0.00    -0.05  -0.08   0.03
     4   6    -0.00   0.10  -0.07     0.03   0.04  -0.21     0.01  -0.11  -0.02
     5   6    -0.01   0.04  -0.05    -0.02  -0.04   0.20     0.01  -0.03  -0.03
     6   6    -0.09  -0.03   0.10     0.00  -0.00  -0.00     0.09   0.02   0.04
     7   6     0.04  -0.05   0.15    -0.01   0.00  -0.00    -0.13   0.11   0.10
     8   7     0.22   0.01  -0.08    -0.01  -0.00   0.00    -0.11   0.19  -0.09
     9   6    -0.03  -0.18   0.05     0.01  -0.00  -0.00     0.03  -0.11   0.02
    10   1     0.11   0.16  -0.14    -0.01  -0.00   0.00    -0.06   0.46  -0.20
    11   1     0.11  -0.11   0.15    -0.02   0.01  -0.00    -0.17   0.10   0.11
    12   1    -0.11  -0.36   0.13     0.00   0.01  -0.00     0.01  -0.32   0.10
    13   1     0.01  -0.15  -0.11     0.01   0.00   0.01     0.29   0.03  -0.25
    14   1    -0.01  -0.19  -0.06     0.01  -0.01  -0.00     0.04  -0.38   0.06
    15   1     0.02   0.12  -0.18     0.05   0.07  -0.43     0.02  -0.10  -0.04
    16   1     0.06   0.02  -0.12    -0.04  -0.08   0.46    -0.07   0.01  -0.06
    17   1    -0.10  -0.10   0.22     0.00  -0.01   0.01     0.08   0.05   0.08
    18   1    -0.10   0.02  -0.17     0.04   0.07  -0.43     0.10   0.03  -0.03
    19   1    -0.13   0.13  -0.18    -0.04  -0.08   0.45     0.17  -0.09  -0.04
    20   1     0.28   0.22  -0.31    -0.01   0.00  -0.01    -0.12   0.16  -0.07
                     10                     11                     12
                      A                      A                      A
 Frequencies --    519.1726               597.2976               638.9278
 Red. masses --      3.2119                 2.8438                 6.3743
 Frc consts  --      0.5101                 0.5978                 1.5332
 IR Inten    --      6.6799                10.3708                 0.0498
 RamAct Fr= 1--      2.2371                 0.9319                 4.2662
  Dep-P Fr= 1--      0.2099                 0.7460                 0.7477
  Dep-U Fr= 1--      0.3469                 0.8546                 0.8556
 Alpha2 Fr= 1--      0.0296                 0.0001                 0.0002
 Beta2  Fr= 1--      0.1294                 0.1327                 0.6084
 AlphaG Fr= 1--     -0.0181                 0.0007                 0.0018
 Gamma2 Fr= 1--     -0.1899                -0.0124                 0.0581
 Delta2 Fr= 1--     -0.0571                -0.0011                 0.0608
 Raman1 Fr= 1--       8.948                  3.728                 17.065
 ROA1   Fr= 1--     -20.058                 -1.227                  7.519
 CID1   Fr= 1--      -2.242                 -0.329                  0.441
 Raman2 Fr= 1--       1.552                  1.593                  7.301
 ROA2   Fr= 1--      -4.101                 -0.289                  0.907
 CID2   Fr= 1--      -2.642                 -0.182                  0.124
 Raman3 Fr= 1--       3.105                  3.186                 14.601
 ROA3   Fr= 1--     -20.058                 -1.227                  7.519
 CID3   Fr= 1--      -6.461                 -0.385                  0.515
 RC180  Fr= 1--      -0.306                  0.709                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.03  -0.11    -0.01  -0.09   0.06     0.27  -0.23  -0.01
     2   6     0.01  -0.10  -0.00     0.02  -0.11  -0.07     0.22   0.22   0.05
     3   6     0.05  -0.08   0.24     0.14   0.00  -0.10    -0.01   0.14   0.02
     4   6    -0.05  -0.02   0.00    -0.00   0.04  -0.05    -0.25   0.20   0.00
     5   6    -0.06   0.03  -0.11    -0.05   0.05   0.08    -0.24  -0.25  -0.07
     6   6    -0.11  -0.02   0.14    -0.12   0.03  -0.12     0.01  -0.14  -0.03
     7   6     0.12   0.08   0.01     0.15   0.08   0.18     0.00  -0.00   0.01
     8   7    -0.08  -0.00   0.01    -0.05   0.02  -0.02     0.01   0.03  -0.00
     9   6     0.09   0.13  -0.08    -0.01  -0.00   0.00    -0.01   0.00   0.00
    10   1    -0.10  -0.00   0.01    -0.15   0.25  -0.11     0.01   0.02   0.00
    11   1     0.28   0.12  -0.04     0.10   0.03   0.20     0.01  -0.00   0.01
    12   1     0.12   0.12  -0.09    -0.25  -0.27   0.14    -0.01  -0.02   0.01
    13   1     0.05   0.11  -0.08    -0.10  -0.03  -0.16    -0.01   0.00  -0.02
    14   1     0.09   0.18  -0.07     0.03   0.12  -0.30    -0.01   0.01  -0.01
    15   1    -0.12  -0.05  -0.24    -0.13  -0.05   0.09    -0.10   0.29   0.05
    16   1    -0.02   0.07  -0.36    -0.01  -0.02   0.32    -0.09  -0.33  -0.04
    17   1    -0.11   0.01   0.20    -0.13   0.03  -0.06    -0.02   0.29   0.05
    18   1     0.12   0.06  -0.35     0.08  -0.06   0.31     0.12  -0.32  -0.02
    19   1     0.01  -0.04  -0.24    -0.07  -0.10   0.11     0.07   0.29   0.07
    20   1    -0.11  -0.31   0.16    -0.04  -0.31   0.01     0.00   0.03   0.02
                     13                     14                     15
                      A                      A                      A
 Frequencies --    713.4131               752.2143               778.0136
 Red. masses --      1.7853                 3.1731                 2.0158
 Frc consts  --      0.5354                 1.0578                 0.7189
 IR Inten    --     40.2636                13.4745                20.9051
 RamAct Fr= 1--      0.1300                13.8367                 4.2113
  Dep-P Fr= 1--      0.4515                 0.0484                 0.3074
  Dep-U Fr= 1--      0.6221                 0.0923                 0.4703
 Alpha2 Fr= 1--      0.0008                 0.2744                 0.0422
 Beta2  Fr= 1--      0.0135                 0.2128                 0.3301
 AlphaG Fr= 1--      0.0047                -0.0958                -0.0058
 Gamma2 Fr= 1--      0.0609                 1.6382                 0.7145
 Delta2 Fr= 1--      0.0256                 0.7110                -0.2385
 Raman1 Fr= 1--       0.520                 55.347                 16.845
 ROA1   Fr= 1--       6.667                180.023                 60.963
 CID1   Fr= 1--      12.818                  3.253                  3.619
 Raman2 Fr= 1--       0.162                  2.554                  3.961
 ROA2   Fr= 1--       1.258                 33.630                 19.057
 CID2   Fr= 1--       7.774                 13.167                  4.811
 Raman3 Fr= 1--       0.324                  5.108                  7.922
 ROA3   Fr= 1--       6.667                180.023                 60.963
 CID3   Fr= 1--      20.604                 35.241                  7.696
 RC180  Fr= 1--       0.244                 -0.815                 -0.059
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02  -0.14    -0.07   0.14   0.03     0.03  -0.06  -0.00
     2   6    -0.01  -0.02   0.07    -0.05   0.13  -0.06     0.03  -0.03  -0.08
     3   6     0.02   0.02  -0.10    -0.12  -0.03   0.10     0.01  -0.03   0.18
     4   6    -0.01  -0.01   0.08    -0.04  -0.13  -0.10     0.03   0.06  -0.06
     5   6     0.02   0.03  -0.14    -0.06  -0.15  -0.02     0.03   0.06   0.02
     6   6    -0.02  -0.01   0.07     0.15   0.03  -0.07    -0.04   0.02  -0.12
     7   6     0.00   0.00   0.00     0.08   0.03   0.10    -0.07  -0.03  -0.07
     8   7     0.00   0.00  -0.00     0.04  -0.07   0.01    -0.01   0.03  -0.01
     9   6     0.00  -0.00   0.00     0.07   0.09  -0.06    -0.03  -0.02  -0.00
    10   1    -0.00   0.02  -0.01    -0.05   0.03  -0.03     0.05  -0.08   0.04
    11   1    -0.04  -0.00   0.01     0.17   0.00   0.09     0.08   0.05  -0.13
    12   1    -0.03  -0.02   0.01    -0.03  -0.02  -0.00     0.17   0.15  -0.09
    13   1    -0.02  -0.01   0.00     0.02   0.08  -0.14     0.07   0.01   0.10
    14   1     0.00   0.01  -0.03     0.09   0.15  -0.20    -0.06  -0.14   0.26
    15   1    -0.04  -0.06   0.49     0.03  -0.10   0.08    -0.02   0.03   0.01
    16   1    -0.01  -0.03   0.19    -0.30  -0.12   0.35     0.06  -0.05   0.45
    17   1    -0.07  -0.10   0.56     0.10  -0.04   0.36    -0.11  -0.10   0.48
    18   1    -0.02  -0.04   0.21    -0.28  -0.03   0.36     0.05  -0.10   0.45
    19   1    -0.05  -0.10   0.51     0.04   0.05   0.10    -0.02  -0.03   0.02
    20   1     0.00  -0.01   0.00     0.06  -0.22  -0.01    -0.04   0.14   0.04
                     16                     17                     18
                      A                      A                      A
 Frequencies --    856.4258               861.6440               920.2131
 Red. masses --      1.2898                 1.6641                 1.5161
 Frc consts  --      0.5574                 0.7279                 0.7564
 IR Inten    --     16.1762                98.9314                22.1301
 RamAct Fr= 1--      1.9425                 0.9040                 4.5254
  Dep-P Fr= 1--      0.5781                 0.1037                 0.4384
  Dep-U Fr= 1--      0.7326                 0.1879                 0.6095
 Alpha2 Fr= 1--      0.0063                 0.0157                 0.0291
 Beta2  Fr= 1--      0.2372                 0.0283                 0.4597
 AlphaG Fr= 1--     -0.0033                 0.0016                -0.0639
 Gamma2 Fr= 1--     -0.4011                 0.1592                -2.3651
 Delta2 Fr= 1--     -0.3340                 0.1457                -1.7958
 Raman1 Fr= 1--       7.770                  3.616                 18.102
 ROA1   Fr= 1--     -49.197                 19.946               -284.513
 CID1   Fr= 1--      -6.332                  5.516                -15.718
 Raman2 Fr= 1--       2.846                  0.340                  5.517
 ROA2   Fr= 1--      -6.955                  2.656                -42.395
 CID2   Fr= 1--      -2.444                  7.816                 -7.685
 Raman3 Fr= 1--       5.693                  0.680                 11.034
 ROA3   Fr= 1--     -49.197                 19.946               -284.513
 CID3   Fr= 1--      -8.642                 29.353                -25.786
 RC180  Fr= 1--       0.465                 -0.624                  0.219
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00  -0.07    -0.02   0.03  -0.03    -0.02   0.03   0.01
     2   6     0.01   0.01  -0.08    -0.01   0.03  -0.03    -0.01   0.01  -0.00
     3   6    -0.00  -0.00   0.01     0.01  -0.00   0.00     0.03   0.01   0.00
     4   6    -0.01  -0.00   0.06    -0.01  -0.02   0.02    -0.01  -0.03  -0.00
     5   6    -0.00  -0.01   0.07    -0.01  -0.03   0.03    -0.03  -0.04  -0.02
     6   6    -0.00  -0.00   0.01     0.02  -0.00   0.01     0.02   0.01   0.00
     7   6    -0.02   0.01   0.01     0.07  -0.02  -0.05     0.10   0.02  -0.05
     8   7    -0.01  -0.05   0.02     0.02   0.16  -0.06    -0.06   0.04   0.03
     9   6     0.01   0.02  -0.02    -0.03  -0.07   0.06     0.00  -0.14   0.03
    10   1     0.09   0.19  -0.08    -0.25  -0.51   0.23     0.04   0.41  -0.13
    11   1    -0.02   0.02   0.01     0.09  -0.04  -0.04     0.20   0.25  -0.16
    12   1     0.01   0.03  -0.02    -0.03  -0.06   0.06     0.02   0.27  -0.12
    13   1     0.01   0.02  -0.02    -0.07  -0.09   0.11    -0.29  -0.30   0.50
    14   1     0.02   0.03  -0.03    -0.03  -0.07   0.07    -0.03   0.20   0.08
    15   1     0.04   0.06  -0.44    -0.00  -0.00  -0.17    -0.00  -0.03  -0.02
    16   1     0.07   0.08  -0.46    -0.01   0.03  -0.23    -0.09  -0.02   0.04
    17   1     0.00   0.01  -0.04     0.02  -0.01  -0.03     0.01   0.03   0.01
    18   1    -0.04  -0.09   0.44    -0.08  -0.03   0.20    -0.04   0.03  -0.06
    19   1    -0.04  -0.09   0.48    -0.03  -0.02   0.22    -0.03   0.03  -0.00
    20   1     0.03   0.16  -0.14    -0.08  -0.45   0.35     0.00   0.18  -0.17
                     19                     20                     21
                      A                      A                      A
 Frequencies --    923.5110               962.3217               977.5367
 Red. masses --      1.3848                 1.3371                 1.2443
 Frc consts  --      0.6959                 0.7296                 0.7005
 IR Inten    --      1.9609                 0.6079                 0.3103
 RamAct Fr= 1--      1.8555                 0.1344                 0.5549
  Dep-P Fr= 1--      0.3451                 0.2743                 0.1279
  Dep-U Fr= 1--      0.5131                 0.4305                 0.2268
 Alpha2 Fr= 1--      0.0165                 0.0015                 0.0091
 Beta2  Fr= 1--      0.1587                 0.0096                 0.0210
 AlphaG Fr= 1--     -0.0211                 0.0040                 0.0101
 Gamma2 Fr= 1--     -1.7219                 0.4955                 0.2515
 Delta2 Fr= 1--      0.2061                -0.1260                -0.0430
 Raman1 Fr= 1--       7.422                  0.537                  2.219
 ROA1   Fr= 1--    -158.711                 43.542                 22.767
 CID1   Fr= 1--     -21.383                 81.009                 10.258
 Raman2 Fr= 1--       1.904                  0.116                  0.252
 ROA2   Fr= 1--     -42.975                 12.901                  6.380
 CID2   Fr= 1--     -22.568                111.504                 25.345
 Raman3 Fr= 1--       3.808                  0.231                  0.503
 ROA3   Fr= 1--    -158.711                 43.542                 22.767
 CID3   Fr= 1--     -41.673                188.169                 45.220
 RC180  Fr= 1--       0.026                 -0.139                 -0.546
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.01     0.01   0.02  -0.10     0.00   0.01  -0.04
     2   6    -0.01  -0.02   0.10    -0.01  -0.02   0.09    -0.00  -0.00   0.01
     3   6     0.01   0.01  -0.06     0.00   0.00   0.00     0.00   0.00   0.00
     4   6    -0.01  -0.01   0.09     0.01   0.01  -0.07    -0.01  -0.01   0.07
     5   6     0.00  -0.00   0.01    -0.01  -0.01   0.05     0.01   0.02  -0.09
     6   6     0.02   0.02  -0.10    -0.01  -0.00   0.03     0.00  -0.01   0.07
     7   6     0.01   0.01  -0.01     0.00   0.00   0.00     0.00   0.00  -0.01
     8   7    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     9   6     0.01  -0.00   0.02    -0.01  -0.01  -0.00     0.00   0.00   0.01
    10   1    -0.00  -0.00   0.00     0.01   0.04  -0.01     0.00  -0.02   0.01
    11   1    -0.09  -0.05   0.03     0.02   0.02  -0.01    -0.02  -0.03   0.01
    12   1    -0.09  -0.08   0.06     0.01   0.02  -0.01    -0.03  -0.03   0.03
    13   1    -0.04  -0.02  -0.02     0.00  -0.00   0.02    -0.01  -0.00  -0.02
    14   1     0.02   0.06  -0.10    -0.01   0.00   0.02     0.01   0.01  -0.04
    15   1     0.02   0.05  -0.50    -0.01  -0.04   0.39     0.01   0.04  -0.47
    16   1     0.01   0.02  -0.11     0.02   0.05  -0.27    -0.06  -0.10   0.61
    17   1    -0.06  -0.11   0.61     0.02   0.05  -0.20     0.06   0.07  -0.45
    18   1    -0.02  -0.01   0.04    -0.06  -0.11   0.62    -0.05  -0.07   0.33
    19   1     0.04   0.10  -0.50     0.04   0.10  -0.53     0.01   0.03  -0.16
    20   1     0.00   0.00  -0.01     0.00   0.01  -0.01    -0.00   0.01  -0.00
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1018.1085              1025.8200              1055.3457
 Red. masses --      1.5503                 6.1378                 2.3340
 Frc consts  --      0.9468                 3.8055                 1.5316
 IR Inten    --      3.3905                 0.0287                 7.2901
 RamAct Fr= 1--      4.1888                55.9950                25.5040
  Dep-P Fr= 1--      0.4602                 0.0551                 0.0507
  Dep-U Fr= 1--      0.6303                 0.1044                 0.0966
 Alpha2 Fr= 1--      0.0246                 1.0928                 0.5029
 Beta2  Fr= 1--      0.4401                 0.9742                 0.4105
 AlphaG Fr= 1--      0.0196                -0.0461                -0.0380
 Gamma2 Fr= 1--      1.3775                -0.3418                -1.2291
 Delta2 Fr= 1--      1.0200                -0.1643                -1.0724
 Raman1 Fr= 1--      16.755                223.980                102.016
 ROA1   Fr= 1--     164.879                -38.068               -152.305
 CID1   Fr= 1--       9.840                 -0.170                 -1.493
 Raman2 Fr= 1--       5.281                 11.691                  4.927
 ROA2   Fr= 1--      24.899                 -6.889                -20.918
 CID2   Fr= 1--       4.715                 -0.589                 -4.246
 Raman3 Fr= 1--      10.561                 23.382                  9.853
 ROA3   Fr= 1--     164.879                -38.068               -152.305
 CID3   Fr= 1--      15.611                 -1.628                -15.458
 RC180  Fr= 1--       0.261                 -0.791                 -0.807
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.00    -0.03   0.05   0.00    -0.05   0.20   0.03
     2   6    -0.01  -0.01   0.01    -0.16  -0.36  -0.08     0.05  -0.06  -0.01
     3   6     0.03   0.01  -0.05    -0.00   0.01   0.01     0.05   0.00   0.01
     4   6    -0.00  -0.00   0.02    -0.21   0.34   0.02     0.05   0.06   0.02
     5   6    -0.02  -0.02  -0.01    -0.01  -0.05  -0.00    -0.03  -0.20  -0.04
     6   6     0.01   0.00  -0.00     0.37   0.02   0.04    -0.14  -0.01  -0.02
     7   6     0.02   0.12   0.02     0.01  -0.00   0.01     0.01   0.00  -0.04
     8   7     0.06  -0.09   0.01     0.00  -0.00  -0.00    -0.02  -0.01   0.00
     9   6    -0.13  -0.01  -0.01     0.02  -0.00  -0.00    -0.02   0.01   0.03
    10   1    -0.08   0.10  -0.07     0.01   0.00  -0.00     0.07  -0.07   0.02
    11   1     0.15   0.35  -0.10    -0.00  -0.00   0.01     0.03  -0.09  -0.00
    12   1     0.27   0.09  -0.11    -0.01   0.01  -0.00    -0.04  -0.11   0.07
    13   1     0.26   0.15  -0.01    -0.02  -0.02   0.03     0.04   0.04  -0.10
    14   1    -0.17  -0.39   0.49     0.02   0.03  -0.04    -0.00  -0.05  -0.01
    15   1     0.02   0.02  -0.11    -0.15   0.39   0.13     0.31   0.22   0.04
    16   1    -0.03  -0.02   0.01     0.03  -0.04  -0.05     0.29  -0.37  -0.01
    17   1     0.00   0.03   0.03     0.38   0.02   0.06    -0.15  -0.01  -0.02
    18   1     0.00   0.02  -0.02     0.01   0.05   0.01     0.26   0.40   0.11
    19   1    -0.01   0.00  -0.04    -0.09  -0.41  -0.08     0.35  -0.20  -0.00
    20   1     0.09  -0.39  -0.02     0.00   0.03   0.00    -0.02   0.17  -0.03
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1072.7762              1107.0832              1123.3241
 Red. masses --      2.2777                 1.6577                 1.8784
 Frc consts  --      1.5444                 1.1971                 1.3965
 IR Inten    --     20.4139                 3.1311                 3.1838
 RamAct Fr= 1--     14.2485                 1.7633                13.7382
  Dep-P Fr= 1--      0.3467                 0.3015                 0.1233
  Dep-U Fr= 1--      0.5149                 0.4633                 0.2195
 Alpha2 Fr= 1--      0.1264                 0.0180                 0.2271
 Beta2  Fr= 1--      1.2227                 0.1362                 0.5027
 AlphaG Fr= 1--     -0.0734                 0.0458                 0.0602
 Gamma2 Fr= 1--     -0.8686                -1.1179                 0.3275
 Delta2 Fr= 1--      0.8023                -0.5822                -0.5625
 Raman1 Fr= 1--      56.994                  7.053                 54.953
 ROA1   Fr= 1--     -57.715               -125.948                 13.443
 CID1   Fr= 1--      -1.013                -17.857                  0.245
 Raman2 Fr= 1--      14.673                  1.634                  6.032
 ROA2   Fr= 1--     -27.266                -22.172                 12.361
 CID2   Fr= 1--      -1.858                -13.569                  2.049
 Raman3 Fr= 1--      29.345                  3.268                 12.064
 ROA3   Fr= 1--     -57.715               -125.948                 13.443
 CID3   Fr= 1--      -1.967                -38.541                  1.114
 RC180  Fr= 1--       0.030                 -0.073                 -0.561
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.05  -0.01     0.08  -0.05  -0.00     0.01   0.01   0.00
     2   6    -0.04  -0.02  -0.02    -0.08  -0.05  -0.02     0.06   0.01  -0.00
     3   6     0.02   0.04   0.05    -0.10   0.04   0.00    -0.12  -0.04   0.03
     4   6     0.03  -0.05  -0.02     0.09  -0.02   0.02    -0.06   0.03  -0.02
     5   6    -0.04  -0.01  -0.01    -0.01  -0.04  -0.01     0.06   0.05   0.02
     6   6     0.03   0.05   0.01    -0.04   0.07   0.01    -0.03  -0.05  -0.01
     7   6     0.04   0.18  -0.17    -0.06   0.02   0.04    -0.03   0.14  -0.07
     8   7    -0.02  -0.09   0.00     0.05  -0.01  -0.02     0.06  -0.06  -0.00
     9   6    -0.03  -0.01   0.15     0.05  -0.03  -0.03     0.05  -0.05   0.06
    10   1     0.24  -0.26   0.05    -0.11  -0.06   0.01    -0.09   0.06  -0.05
    11   1     0.15  -0.06  -0.09    -0.16   0.10   0.03    -0.33   0.29  -0.07
    12   1    -0.25  -0.42   0.34    -0.02   0.15  -0.08    -0.20  -0.04   0.10
    13   1    -0.01   0.02  -0.21    -0.13  -0.12   0.16    -0.18  -0.15   0.09
    14   1     0.02  -0.11  -0.13     0.04   0.18  -0.08     0.06   0.19  -0.19
    15   1     0.05  -0.05   0.08     0.48   0.23   0.01    -0.13  -0.01   0.05
    16   1    -0.23   0.09  -0.02    -0.08  -0.02   0.02     0.29  -0.06   0.02
    17   1     0.02   0.26   0.04    -0.06   0.46   0.07    -0.01  -0.31  -0.07
    18   1     0.03  -0.05  -0.01     0.34   0.10   0.06     0.02   0.01   0.02
    19   1    -0.23   0.05   0.06    -0.24   0.02  -0.02     0.37  -0.15   0.02
    20   1    -0.01   0.30  -0.06     0.04  -0.25   0.05     0.09  -0.38  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1184.6482              1205.2729              1209.3653
 Red. masses --      1.1198                 1.4847                 1.1355
 Frc consts  --      0.9259                 1.2708                 0.9785
 IR Inten    --      0.2356                 5.1110                 1.0457
 RamAct Fr= 1--      3.5220                 1.5127                 5.9570
  Dep-P Fr= 1--      0.7498                 0.5898                 0.4284
  Dep-U Fr= 1--      0.8570                 0.7420                 0.5998
 Alpha2 Fr= 1--      0.0000                 0.0045                 0.0397
 Beta2  Fr= 1--      0.5031                 0.1871                 0.5955
 AlphaG Fr= 1--     -0.0000                -0.0041                 0.0305
 Gamma2 Fr= 1--      0.1485                -2.4416                 0.3391
 Delta2 Fr= 1--      0.1276                -0.3936                 0.4402
 Raman1 Fr= 1--      14.088                  6.051                 23.828
 ROA1   Fr= 1--      18.340               -246.986                 46.640
 CID1   Fr= 1--       1.302                -40.819                  1.957
 Raman2 Fr= 1--       6.037                  2.245                  7.146
 ROA2   Fr= 1--       2.543                -55.448                  4.617
 CID2   Fr= 1--       0.421                -24.701                  0.646
 Raman3 Fr= 1--      12.074                  4.490                 14.292
 ROA3   Fr= 1--      18.340               -246.986                 46.640
 CID3   Fr= 1--       1.519                -55.014                  3.263
 RC180  Fr= 1--       0.714                  0.484                  0.200
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.02  -0.01     0.02  -0.02  -0.00    -0.04  -0.03  -0.01
     2   6     0.01  -0.01   0.00     0.02  -0.02   0.01     0.05  -0.03   0.00
     3   6    -0.01   0.00  -0.01    -0.09   0.06  -0.05    -0.03   0.00  -0.00
     4   6    -0.01  -0.01  -0.00    -0.04  -0.03  -0.00     0.04   0.03   0.01
     5   6     0.05  -0.02   0.00     0.03   0.02   0.01    -0.04   0.03  -0.00
     6   6    -0.01   0.06   0.01    -0.01  -0.00  -0.00    -0.01  -0.00  -0.00
     7   6    -0.00   0.01   0.01    -0.02   0.08   0.10     0.01  -0.00  -0.00
     8   7    -0.00  -0.00  -0.00    -0.01  -0.02  -0.05    -0.00   0.00   0.00
     9   6     0.00  -0.00  -0.00     0.01  -0.03  -0.03    -0.01  -0.00   0.00
    10   1     0.02  -0.03   0.01     0.18  -0.43   0.12    -0.00   0.00   0.00
    11   1     0.06  -0.01   0.01     0.61  -0.09   0.05     0.05  -0.03   0.00
    12   1     0.01   0.02  -0.01     0.04   0.12  -0.08     0.01   0.01  -0.00
    13   1    -0.00  -0.01   0.01    -0.02  -0.05   0.14     0.02   0.01  -0.01
    14   1    -0.00   0.01   0.01    -0.01   0.11   0.07    -0.01   0.01   0.01
    15   1    -0.15  -0.10  -0.02    -0.08  -0.05  -0.05     0.44   0.28   0.05
    16   1     0.45  -0.23   0.01     0.03   0.02  -0.00    -0.41   0.22  -0.00
    17   1    -0.04   0.63   0.11     0.00  -0.20  -0.03    -0.01  -0.02  -0.00
    18   1    -0.40  -0.25  -0.09     0.18   0.08   0.03    -0.39  -0.25  -0.09
    19   1     0.20  -0.10  -0.00     0.20  -0.12  -0.02     0.47  -0.24  -0.00
    20   1    -0.01   0.03   0.01    -0.08   0.35   0.08     0.00   0.00  -0.02
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1238.3137              1330.5392              1337.8429
 Red. masses --      2.5220                 1.3551                 4.4957
 Frc consts  --      2.2785                 1.4135                 4.7408
 IR Inten    --      8.3355                 7.9831                 1.3839
 RamAct Fr= 1--     20.8400                16.2879                 3.3529
  Dep-P Fr= 1--      0.0482                 0.3011                 0.1375
  Dep-U Fr= 1--      0.0919                 0.4629                 0.2418
 Alpha2 Fr= 1--      0.4134                 0.1665                 0.0535
 Beta2  Fr= 1--      0.3193                 1.2565                 0.1351
 AlphaG Fr= 1--     -0.2689                -0.0879                 0.0306
 Gamma2 Fr= 1--      1.4778                -1.9560                 0.7941
 Delta2 Fr= 1--      1.0663                -1.0222                 0.0206
 Raman1 Fr= 1--      83.360                 65.152                 13.412
 ROA1   Fr= 1--     175.986               -220.482                 76.894
 CID1   Fr= 1--       2.111                 -3.384                  5.733
 Raman2 Fr= 1--       3.832                 15.078                  1.621
 ROA2   Fr= 1--      26.936                -38.765                 18.894
 CID2   Fr= 1--       7.030                 -2.571                 11.654
 Raman3 Fr= 1--       7.663                 30.157                  3.243
 ROA3   Fr= 1--     175.986               -220.482                 76.894
 CID3   Fr= 1--      22.966                 -7.311                 23.713
 RC180  Fr= 1--      -0.816                 -0.074                 -0.516
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.05   0.00     0.01   0.02   0.00    -0.19  -0.11  -0.04
     2   6     0.04  -0.00   0.00    -0.01   0.00   0.00     0.17  -0.10  -0.00
     3   6     0.23   0.00   0.04     0.03  -0.02  -0.03     0.04   0.32   0.06
     4   6     0.05   0.02   0.01     0.02   0.01   0.01    -0.12  -0.11  -0.03
     5   6    -0.07  -0.05  -0.02    -0.02   0.00  -0.00     0.17  -0.13  -0.00
     6   6     0.01  -0.01  -0.00     0.00  -0.02  -0.00    -0.01   0.18   0.03
     7   6    -0.17   0.12   0.07    -0.11  -0.09   0.02    -0.07  -0.09  -0.04
     8   7     0.03  -0.06  -0.07     0.01   0.00  -0.01     0.04   0.02   0.03
     9   6     0.05  -0.05  -0.06     0.05   0.04   0.05     0.01   0.02   0.02
    10   1     0.06  -0.40   0.08    -0.07   0.01  -0.01    -0.16   0.25  -0.06
    11   1    -0.45   0.12   0.13     0.51   0.66  -0.39    -0.11   0.07  -0.10
    12   1    -0.07   0.18  -0.11    -0.15  -0.11   0.13    -0.03  -0.01   0.03
    13   1    -0.15  -0.15   0.22    -0.10  -0.01  -0.14    -0.06   0.00  -0.10
    14   1     0.02   0.20   0.02     0.08   0.01  -0.15     0.02  -0.05  -0.06
    15   1    -0.20  -0.14  -0.02    -0.01  -0.01  -0.02    -0.21  -0.17  -0.03
    16   1    -0.26   0.05  -0.02    -0.01  -0.00  -0.00    -0.46   0.18  -0.03
    17   1     0.01  -0.01  -0.00    -0.00   0.03   0.00     0.00  -0.13  -0.02
    18   1    -0.30  -0.09  -0.04    -0.06  -0.02  -0.01     0.30   0.19   0.07
    19   1    -0.08   0.07  -0.00    -0.01   0.01  -0.02     0.11  -0.07   0.00
    20   1    -0.05   0.09   0.14    -0.01  -0.03   0.05     0.06  -0.25   0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1361.5267              1406.4366              1413.6672
 Red. masses --      1.4414                 1.2308                 1.3310
 Frc consts  --      1.5743                 1.4345                 1.5672
 IR Inten    --      0.4732                 6.9771                13.0961
 RamAct Fr= 1--      0.5287                 2.3252                 5.4308
  Dep-P Fr= 1--      0.5364                 0.4736                 0.7395
  Dep-U Fr= 1--      0.6983                 0.6428                 0.8503
 Alpha2 Fr= 1--      0.0022                 0.0129                 0.0010
 Beta2  Fr= 1--      0.0615                 0.2491                 0.7696
 AlphaG Fr= 1--     -0.0095                 0.0117                 0.0077
 Gamma2 Fr= 1--     -0.0152                 0.2998                -0.4169
 Delta2 Fr= 1--     -0.0638                -0.3424                 1.5203
 Raman1 Fr= 1--       2.115                  9.301                 21.723
 ROA1   Fr= 1--      -3.499                 17.823                  8.628
 CID1   Fr= 1--      -1.655                  1.916                  0.397
 Raman2 Fr= 1--       0.738                  2.989                  9.235
 ROA2   Fr= 1--       0.147                  9.935                -22.168
 CID2   Fr= 1--       0.199                  3.323                 -2.400
 Raman3 Fr= 1--       1.477                  5.979                 18.470
 ROA3   Fr= 1--      -3.499                 17.823                  8.628
 CID3   Fr= 1--      -2.369                  2.981                  0.467
 RC180  Fr= 1--       0.397                  0.286                  0.701
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.00   0.00     0.01   0.00   0.00    -0.01  -0.02  -0.00
     2   6    -0.10   0.03  -0.01    -0.01   0.00   0.00    -0.01   0.01   0.00
     3   6    -0.01   0.06   0.01     0.00   0.00  -0.00    -0.03   0.01   0.01
     4   6     0.10   0.04   0.02     0.01   0.00   0.00    -0.01  -0.00  -0.00
     5   6    -0.02  -0.00  -0.00    -0.01   0.00   0.00     0.03  -0.00   0.00
     6   6     0.01  -0.10  -0.02    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00
     7   6     0.00  -0.02  -0.02    -0.04   0.01  -0.02     0.11  -0.05   0.05
     8   7     0.01   0.00   0.01     0.01   0.01   0.02    -0.03  -0.02  -0.05
     9   6    -0.01  -0.01   0.01     0.06   0.07  -0.09    -0.01   0.05  -0.04
    10   1    -0.04   0.09  -0.02    -0.04   0.12  -0.02     0.13  -0.24   0.04
    11   1    -0.04  -0.07   0.01     0.18  -0.26   0.05    -0.47   0.56  -0.07
    12   1     0.02   0.06  -0.02    -0.32  -0.38   0.16     0.03  -0.32   0.10
    13   1     0.04   0.02  -0.05    -0.35  -0.16   0.37    -0.02   0.01   0.27
    14   1    -0.00   0.04  -0.04    -0.00  -0.31   0.43    -0.01  -0.15   0.13
    15   1    -0.48  -0.32  -0.07    -0.02  -0.01  -0.01     0.00   0.01   0.00
    16   1    -0.28   0.12  -0.01    -0.01   0.00  -0.00    -0.05   0.04   0.00
    17   1    -0.02   0.31   0.05    -0.00   0.01   0.00    -0.00   0.07   0.01
    18   1     0.25   0.13   0.05    -0.01  -0.00  -0.00     0.10   0.05   0.02
    19   1     0.49  -0.27  -0.00     0.04  -0.02  -0.01     0.10  -0.04   0.00
    20   1     0.01  -0.05   0.01     0.04  -0.13  -0.03    -0.08   0.30   0.02
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1483.9408              1491.0866              1498.3194
 Red. masses --      1.7018                 1.2132                 1.0754
 Frc consts  --      2.2080                 1.5892                 1.4224
 IR Inten    --      8.6459                 1.6731                 5.4576
 RamAct Fr= 1--      1.6614                 4.7090                 3.2579
  Dep-P Fr= 1--      0.7387                 0.7215                 0.5629
  Dep-U Fr= 1--      0.8497                 0.8382                 0.7203
 Alpha2 Fr= 1--      0.0003                 0.0023                 0.0116
 Beta2  Fr= 1--      0.2353                 0.6579                 0.3911
 AlphaG Fr= 1--      0.0034                 0.0124                 0.0148
 Gamma2 Fr= 1--      4.5736                -1.2891                 0.2097
 Delta2 Fr= 1--     -1.8907                 0.1037                 0.6425
 Raman1 Fr= 1--       6.646                 18.836                 13.032
 ROA1   Fr= 1--     378.569               -120.436                 40.690
 CID1   Fr= 1--      56.964                 -6.394                  3.122
 Raman2 Fr= 1--       2.823                  7.894                  4.694
 ROA2   Fr= 1--     124.893                -31.769                 -0.107
 CID2   Fr= 1--      44.234                 -4.024                 -0.023
 Raman3 Fr= 1--       5.647                 15.789                  9.387
 ROA3   Fr= 1--     378.569               -120.436                 40.690
 CID3   Fr= 1--      67.040                 -7.628                  4.335
 RC180  Fr= 1--       0.699                  0.676                  0.441
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11  -0.01  -0.01    -0.05   0.01  -0.00    -0.01   0.01  -0.00
     2   6     0.05   0.05   0.02     0.04   0.02   0.01     0.02  -0.00   0.00
     3   6     0.02  -0.12  -0.02     0.00  -0.06  -0.01     0.00  -0.02  -0.00
     4   6    -0.08   0.03  -0.00    -0.03   0.02   0.00    -0.00   0.01   0.00
     5   6     0.11   0.01   0.01     0.05   0.00   0.01     0.02  -0.00   0.00
     6   6     0.01  -0.09  -0.01    -0.00  -0.05  -0.01    -0.00  -0.01  -0.00
     7   6     0.01   0.02   0.00    -0.02   0.04   0.01    -0.04   0.00  -0.02
     8   7    -0.01   0.00  -0.00     0.00  -0.00   0.00     0.01   0.00   0.01
     9   6     0.03  -0.03  -0.00    -0.02   0.04   0.02    -0.03  -0.01  -0.03
    10   1     0.05  -0.04   0.01    -0.01   0.00  -0.00    -0.03   0.06  -0.01
    11   1     0.06   0.00  -0.00     0.09  -0.09   0.04     0.12  -0.05  -0.03
    12   1    -0.42   0.18   0.00     0.55  -0.06  -0.05     0.16  -0.45   0.11
    13   1     0.10   0.03  -0.25    -0.31  -0.12   0.19     0.47   0.17   0.46
    14   1    -0.05   0.19   0.33     0.10  -0.39  -0.49    -0.04   0.47  -0.10
    15   1     0.11   0.16   0.03     0.01   0.06   0.01    -0.02   0.01  -0.00
    16   1    -0.22   0.19   0.01    -0.14   0.11   0.00    -0.06   0.04  -0.00
    17   1    -0.02   0.47   0.08    -0.02   0.23   0.04    -0.01   0.07   0.01
    18   1     0.26   0.23   0.07     0.07   0.09   0.03    -0.00   0.02   0.00
    19   1    -0.05   0.12   0.02    -0.05   0.07  -0.00    -0.06   0.03   0.01
    20   1    -0.00   0.01  -0.03     0.00  -0.01   0.01     0.02  -0.08   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1535.5593              1627.7437              1650.0400
 Red. masses --      2.1856                 5.4534                 4.4728
 Frc consts  --      3.0364                 8.5132                 7.1750
 IR Inten    --     12.7143                 1.2919                 3.0045
 RamAct Fr= 1--      0.4236                 9.6887                42.6075
  Dep-P Fr= 1--      0.7345                 0.7014                 0.6462
  Dep-U Fr= 1--      0.8469                 0.8245                 0.7851
 Alpha2 Fr= 1--      0.0001                 0.0082                 0.0796
 Beta2  Fr= 1--      0.0598                 1.3314                 5.5750
 AlphaG Fr= 1--      0.0021                 0.0175                 0.0459
 Gamma2 Fr= 1--     -0.8694                -0.5421                -2.1150
 Delta2 Fr= 1--      0.2289                 0.1467                -0.9710
 Raman1 Fr= 1--       1.694                 38.755                170.430
 ROA1   Fr= 1--     -76.140                -47.350               -234.115
 CID1   Fr= 1--     -44.941                 -1.222                 -1.374
 Raman2 Fr= 1--       0.717                 15.977                 66.900
 ROA2   Fr= 1--     -22.697                -14.184                -42.992
 CID2   Fr= 1--     -31.637                 -0.888                 -0.643
 Raman3 Fr= 1--       1.435                 31.954                133.800
 ROA3   Fr= 1--     -76.140                -47.350               -234.115
 CID3   Fr= 1--     -53.065                 -1.482                 -1.750
 RC180  Fr= 1--       0.694                  0.649                  0.570
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10  -0.11  -0.03    -0.06  -0.20  -0.04    -0.24  -0.06  -0.04
     2   6    -0.08   0.09   0.01    -0.10   0.17   0.02     0.27  -0.07   0.02
     3   6     0.14   0.01   0.02     0.00  -0.29  -0.05    -0.19  -0.00  -0.02
     4   6    -0.06  -0.10  -0.02     0.10   0.20   0.04     0.24   0.08   0.04
     5   6    -0.12   0.09   0.00     0.08  -0.21  -0.03    -0.24   0.06  -0.02
     6   6     0.10   0.01   0.01    -0.02   0.36   0.06     0.12  -0.01   0.01
     7   6    -0.04   0.00  -0.01    -0.01   0.04   0.01     0.02  -0.01   0.01
     8   7     0.00   0.00   0.00    -0.01   0.00  -0.00    -0.03   0.02   0.01
     9   6    -0.01   0.00   0.00     0.01  -0.00   0.00     0.00   0.00  -0.00
    10   1    -0.03   0.01  -0.00     0.09  -0.03   0.01     0.33  -0.11   0.04
    11   1    -0.01  -0.02   0.00     0.12  -0.02   0.01     0.02   0.04  -0.01
    12   1     0.09  -0.05   0.00     0.02  -0.01   0.00    -0.02   0.00   0.00
    13   1     0.01  -0.00   0.08    -0.02  -0.02   0.03    -0.01  -0.00  -0.01
    14   1     0.01   0.01  -0.09     0.01   0.00  -0.03     0.00  -0.02   0.02
    15   1     0.39   0.17   0.05    -0.33  -0.06  -0.03    -0.25  -0.24  -0.05
    16   1     0.44  -0.18   0.02    -0.25  -0.06  -0.04     0.22  -0.18  -0.00
    17   1     0.13  -0.02   0.01     0.02  -0.49  -0.09     0.13   0.03   0.02
    18   1     0.42   0.20   0.08     0.23  -0.04   0.02     0.19   0.21   0.06
    19   1     0.44  -0.16   0.01     0.29  -0.02   0.02    -0.30   0.22   0.01
    20   1     0.00  -0.02   0.01     0.01  -0.02  -0.05     0.08  -0.19  -0.26
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1658.2903              3013.5170              3025.4565
 Red. masses --      1.1455                 1.0828                 1.0358
 Frc consts  --      1.8559                 5.7936                 5.5859
 IR Inten    --     42.3108                13.9617                28.9157
 RamAct Fr= 1--      7.3165               189.8758               161.3370
  Dep-P Fr= 1--      0.5265                 0.1583                 0.0327
  Dep-U Fr= 1--      0.6898                 0.2733                 0.0633
 Alpha2 Fr= 1--      0.0317                 2.8740                 3.3205
 Beta2  Fr= 1--      0.8412                 8.6494                 1.7021
 AlphaG Fr= 1--     -0.0283                 3.2243                -1.3484
 Gamma2 Fr= 1--      1.5576                13.6423                -0.2542
 Delta2 Fr= 1--      2.0307                 9.2458                -0.2961
 Raman1 Fr= 1--      29.266                759.503                645.348
 ROA1   Fr= 1--     214.513               1605.528                -33.880
 CID1   Fr= 1--       7.330                  2.114                 -0.052
 Raman2 Fr= 1--      10.094                103.792                 20.425
 ROA2   Fr= 1--      21.136                253.449                 -3.733
 CID2   Fr= 1--       2.094                  2.442                 -0.183
 Raman3 Fr= 1--      20.189                207.585                 40.850
 ROA3   Fr= 1--     214.513               1605.528                -33.880
 CID3   Fr= 1--      10.625                  7.734                 -0.829
 RC180  Fr= 1--       0.380                 -0.453                 -0.873
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.01   0.01    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     2   6    -0.03   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     3   6     0.03   0.02   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     4   6    -0.03  -0.01  -0.01     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   6     0.02  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6    -0.01  -0.01  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     7   6    -0.02  -0.01   0.02    -0.01  -0.03  -0.07     0.00   0.00   0.01
     8   7    -0.05   0.05   0.02     0.00   0.00   0.00     0.00  -0.00  -0.00
     9   6     0.00   0.00   0.00     0.00   0.00   0.01    -0.03  -0.02   0.04
    10   1     0.66  -0.21   0.08    -0.00  -0.00  -0.02     0.00  -0.00   0.00
    11   1    -0.01   0.04  -0.01     0.17   0.35   0.89    -0.02  -0.05  -0.12
    12   1     0.03   0.01  -0.01    -0.03  -0.07  -0.18    -0.11  -0.22  -0.57
    13   1    -0.01  -0.00   0.01    -0.00   0.01   0.00    -0.20   0.42   0.04
    14   1     0.01   0.00  -0.03     0.01   0.00   0.00     0.60   0.04   0.10
    15   1     0.01   0.01   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    16   1    -0.02   0.02  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    17   1    -0.02  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    18   1    -0.03  -0.03  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    19   1     0.04  -0.03  -0.00    -0.01  -0.01  -0.00    -0.00  -0.01  -0.00
    20   1     0.17  -0.43  -0.53    -0.00  -0.01  -0.00     0.00  -0.00   0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3088.8138              3100.6079              3161.3301
 Red. masses --      1.1026                 1.1003                 1.0852
 Frc consts  --      6.1982                 6.2323                 6.3902
 IR Inten    --     39.7956                28.3155                 5.8156
 RamAct Fr= 1--    115.7238                59.7522                33.4965
  Dep-P Fr= 1--      0.5537                 0.6919                 0.6898
  Dep-U Fr= 1--      0.7128                 0.8179                 0.8165
 Alpha2 Fr= 1--      0.4331                 0.0608                 0.0353
 Beta2  Fr= 1--     13.7478                 8.1454                 4.5581
 AlphaG Fr= 1--     -0.0688                 0.0005                -0.0923
 Gamma2 Fr= 1--     -9.7775                -5.5342                -2.3864
 Delta2 Fr= 1--     -7.7196                 0.4900                -0.3040
 Raman1 Fr= 1--     462.895                239.009                133.986
 ROA1   Fr= 1--   -1185.665               -515.604               -238.822
 CID1   Fr= 1--      -2.561                 -2.157                 -1.782
 Raman2 Fr= 1--     164.974                 97.745                 54.697
 ROA2   Fr= 1--    -172.903               -136.741                -54.841
 CID2   Fr= 1--      -1.048                 -1.399                 -1.003
 Raman3 Fr= 1--     329.947                195.489                109.394
 ROA3   Fr= 1--   -1185.665               -515.604               -238.822
 CID3   Fr= 1--      -3.594                 -2.638                 -2.183
 RC180  Fr= 1--       0.426                  0.636                  0.633
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.02   0.04   0.00
     2   6     0.00   0.00   0.00     0.00   0.01   0.00    -0.03  -0.05  -0.01
     3   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.01  -0.02  -0.00
     6   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.03   0.00   0.00
     7   6    -0.00  -0.00  -0.01     0.00  -0.00  -0.01    -0.00  -0.00  -0.00
     8   7     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     9   6    -0.07  -0.02  -0.06     0.05  -0.07  -0.03     0.00  -0.00  -0.00
    10   1    -0.00   0.00  -0.00     0.00   0.00  -0.01    -0.00   0.00  -0.00
    11   1     0.02   0.05   0.12     0.01   0.02   0.06     0.00   0.00   0.01
    12   1     0.09   0.23   0.62     0.07   0.11   0.33     0.00   0.00   0.01
    13   1    -0.00  -0.04  -0.02    -0.36   0.80   0.06    -0.02   0.05   0.00
    14   1     0.72   0.05   0.10    -0.28  -0.04  -0.05    -0.01  -0.00  -0.00
    15   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.03  -0.04  -0.00
    16   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.11   0.22   0.05
    17   1     0.00   0.00   0.00    -0.00   0.00   0.00    -0.33  -0.01  -0.04
    18   1     0.00  -0.00  -0.00    -0.01   0.01   0.00     0.30  -0.46  -0.05
    19   1    -0.00  -0.00  -0.00    -0.03  -0.06  -0.01     0.31   0.63   0.15
    20   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3169.2611              3179.3424              3192.0255
 Red. masses --      1.0872                 1.0919                 1.0961
 Frc consts  --      6.4339                 6.5028                 6.5802
 IR Inten    --      1.3949                27.3939                19.9980
 RamAct Fr= 1--    130.1270                70.7785               232.0698
  Dep-P Fr= 1--      0.6048                 0.7051                 0.1212
  Dep-U Fr= 1--      0.7538                 0.8270                 0.2162
 Alpha2 Fr= 1--      0.3487                 0.0552                 3.8561
 Beta2  Fr= 1--     16.3476                 9.7561                 8.3637
 AlphaG Fr= 1--     -0.1022                -0.1229                -0.3596
 Gamma2 Fr= 1--      3.9715                 0.3985                -2.4201
 Delta2 Fr= 1--      1.9975                 2.5472                -3.4383
 Raman1 Fr= 1--     520.508                283.114                928.279
 ROA1   Fr= 1--     445.187                119.769               -342.354
 CID1   Fr= 1--       0.855                  0.423                 -0.369
 Raman2 Fr= 1--     196.172                117.073                100.364
 ROA2   Fr= 1--      79.337                -10.813                -30.575
 CID2   Fr= 1--       0.404                 -0.092                 -0.305
 Raman3 Fr= 1--     392.343                234.147                200.728
 ROA3   Fr= 1--     445.187                119.769               -342.354
 CID3   Fr= 1--       1.135                  0.512                 -1.706
 RC180  Fr= 1--       0.508                  0.654                 -0.568
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.03  -0.04  -0.00    -0.03   0.04   0.01
     2   6     0.02   0.04   0.01    -0.02  -0.03  -0.01     0.01   0.02   0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     4   6    -0.01   0.01   0.00    -0.00   0.01   0.00    -0.01   0.01   0.00
     5   6    -0.03  -0.05  -0.01    -0.02  -0.04  -0.01    -0.01  -0.03  -0.01
     6   6     0.04   0.00   0.01    -0.03   0.00  -0.00    -0.06  -0.00  -0.01
     7   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     8   7    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    11   1    -0.00  -0.00  -0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    12   1    -0.00  -0.00  -0.01     0.00   0.00   0.01    -0.00  -0.00  -0.00
    13   1     0.01  -0.03  -0.00    -0.01   0.02   0.00     0.00  -0.01  -0.00
    14   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    15   1     0.08  -0.13  -0.01     0.07  -0.12  -0.01     0.11  -0.17  -0.01
    16   1     0.31   0.62   0.14     0.23   0.45   0.10     0.13   0.27   0.06
    17   1    -0.49  -0.02  -0.06     0.34   0.01   0.04     0.71   0.03   0.08
    18   1     0.00  -0.00   0.00    -0.34   0.52   0.06     0.29  -0.46  -0.05
    19   1    -0.21  -0.42  -0.10     0.20   0.39   0.09    -0.10  -0.19  -0.04
    20   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
                     52                     53                     54
                      A                      A                      A
 Frequencies --   3207.9651              3472.4785              3554.5498
 Red. masses --      1.0917                 1.0507                 1.0906
 Frc consts  --      6.6195                 7.4647                 8.1188
 IR Inten    --      5.2912                 0.3909                 0.6503
 RamAct Fr= 1--    126.1140               150.7823               100.3621
  Dep-P Fr= 1--      0.1431                 0.0949                 0.5293
  Dep-U Fr= 1--      0.2504                 0.1733                 0.6922
 Alpha2 Fr= 1--      1.9838                 2.6733                 0.4291
 Beta2  Fr= 1--      5.2636                 4.3547                11.5792
 AlphaG Fr= 1--     -0.1986                 2.4801                -0.4040
 Gamma2 Fr= 1--      1.1347                 8.5794                 6.9201
 Delta2 Fr= 1--      0.0715                 4.1766                -2.3800
 Raman1 Fr= 1--     504.456                603.129                401.448
 ROA1   Fr= 1--     111.225                957.279                588.175
 CID1   Fr= 1--       0.220                  1.587                  1.465
 Raman2 Fr= 1--      63.163                 52.257                138.951
 ROA2   Fr= 1--      26.662                172.494                185.123
 CID2   Fr= 1--       0.422                  3.301                  1.332
 Raman3 Fr= 1--     126.326                104.514                277.902
 ROA3   Fr= 1--     111.225                957.279                588.175
 CID3   Fr= 1--       0.880                  9.159                  2.116
 RC180  Fr= 1--      -0.499                 -0.653                  0.384
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     4   6     0.04  -0.07  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.01  -0.02  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     6   6    -0.01   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     7   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     8   7     0.00   0.00   0.00     0.03  -0.02  -0.04    -0.06  -0.02  -0.05
     9   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    10   1    -0.00  -0.00  -0.01     0.04   0.32   0.78    -0.00   0.19   0.49
    11   1    -0.00  -0.00  -0.00     0.00   0.00   0.01     0.00   0.01   0.01
    12   1     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    15   1    -0.51   0.80   0.05    -0.00   0.00   0.00    -0.00   0.00   0.00
    16   1     0.12   0.23   0.05     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    17   1     0.10   0.00   0.01    -0.00   0.00   0.00    -0.00   0.00  -0.00
    18   1     0.03  -0.05  -0.01     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    19   1    -0.01  -0.02  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    20   1    -0.00   0.00   0.00    -0.50  -0.03  -0.18     0.81   0.06   0.24

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  7 and mass  14.00307
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Molecular mass:   121.08915 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   528.039191542.246921943.31143
           X            0.99994   0.01012  -0.00505
           Y           -0.01008   0.99991   0.00830
           Z            0.00513  -0.00825   0.99995
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.16403     0.05616     0.04457
 Rotational constants (GHZ):           3.41782     1.17020     0.92869
 Zero-point vibrational energy     455950.5 (Joules/Mol)
                                  108.97479 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     55.16   202.72   326.51   361.92   373.66
          (Kelvin)            480.09   570.30   597.59   669.11   746.97
                              859.38   919.27  1026.44  1082.27  1119.39
                             1232.21  1239.71  1323.98  1328.73  1384.57
                             1406.46  1464.83  1475.93  1518.41  1543.49
                             1592.85  1616.21  1704.44  1734.12  1740.01
                             1781.66  1914.35  1924.86  1958.93  2023.55
                             2033.95  2135.06  2145.34  2155.75  2209.33
                             2341.96  2374.04  2385.91  4335.78  4352.96
                             4444.11  4461.08  4548.45  4559.86  4574.36
                             4592.61  4615.55  4996.12  5114.20
 
 Zero-point correction=                           0.173662 (Hartree/Particle)
 Thermal correction to Energy=                    0.182142
 Thermal correction to Enthalpy=                  0.183086
 Thermal correction to Gibbs Free Energy=         0.140222
 Sum of electronic and zero-point Energies=           -366.225232
 Sum of electronic and thermal Energies=              -366.216752
 Sum of electronic and thermal Enthalpies=            -366.215808
 Sum of electronic and thermal Free Energies=         -366.258672
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  114.296             32.999             90.214
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.288
 Rotational               0.889              2.981             28.850
 Vibrational            112.518             27.038             21.076
 Vibration     1          0.594              1.982              5.343
 Vibration     2          0.615              1.912              2.792
 Vibration     3          0.651              1.800              1.903
 Vibration     4          0.664              1.760              1.720
 Vibration     5          0.668              1.746              1.664
 Vibration     6          0.715              1.608              1.242
 Vibration     7          0.763              1.478              0.976
 Vibration     8          0.779              1.437              0.908
 Vibration     9          0.823              1.328              0.752
 Vibration    10          0.874              1.208              0.612
 Vibration    11          0.955              1.038              0.454
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.317921D-64        -64.497680       -148.511397
 Total V=0       0.240658D+16         15.381401         35.416985
 Vib (Bot)       0.134797D-77        -77.870319       -179.303036
 Vib (Bot)    1  0.539747D+01          0.732190          1.685930
 Vib (Bot)    2  0.144279D+01          0.159203          0.366580
 Vib (Bot)    3  0.869067D+00         -0.060947         -0.140335
 Vib (Bot)    4  0.775309D+00         -0.110525         -0.254494
 Vib (Bot)    5  0.747992D+00         -0.126103         -0.290363
 Vib (Bot)    6  0.558688D+00         -0.252830         -0.582164
 Vib (Bot)    7  0.450847D+00         -0.345971         -0.796627
 Vib (Bot)    8  0.424249D+00         -0.372380         -0.857436
 Vib (Bot)    9  0.364206D+00         -0.438652         -1.010035
 Vib (Bot)   10  0.311141D+00         -0.507042         -1.167508
 Vib (Bot)   11  0.250686D+00         -0.600869         -1.383553
 Vib (V=0)       0.102038D+03          2.008762          4.625346
 Vib (V=0)    1  0.592058D+01          0.772364          1.778434
 Vib (V=0)    2  0.202697D+01          0.306848          0.706544
 Vib (V=0)    3  0.150264D+01          0.176854          0.407221
 Vib (V=0)    4  0.142255D+01          0.153068          0.352453
 Vib (V=0)    5  0.139972D+01          0.146041          0.336271
 Vib (V=0)    6  0.124976D+01          0.096825          0.222948
 Vib (V=0)    7  0.117325D+01          0.069390          0.159776
 Vib (V=0)    8  0.115573D+01          0.062858          0.144735
 Vib (V=0)    9  0.111858D+01          0.048669          0.112064
 Vib (V=0)   10  0.108890D+01          0.036990          0.085172
 Vib (V=0)   11  0.105932D+01          0.025029          0.057631
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.523735D+08          7.719112         17.773912
 Rotational      0.450326D+06          5.653527         13.017727
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3  3       3333333 33                                              111 1111 11111 1111111111                                    
     5  4       2111110 00                                              666 5444 44333 2221110000999988  777  65  5 443  3222  1     
     5  7       0976608 21                                              552 3998 10633 3008207521762265  751  39  1 619  3652  4   3 
     5  2       8299119 54                                              808 6814 46281 8955373568824026  823  97  9 556  4027  1   8 
 
     X  X       XXXXXXX XX                                              XXX XXXX XXXXX XXXXXXXX XXXXXXX  XXX   X  X X X  XXXX  X   X 
                 XX  XX XX                                              X   X  X X   X X     X      XXX  XXX   X      X   XX         
                 XX  XX XX                                              X   X    X           X      XXX  XXX              XX         
                 XX  XX X                                               X                    X      XX   X X               X         
                  X  XX X                                               X                            X     X               X         
                  X  XX X                                               X                            X     X               X         
                      X                                                 X                            X     X                         
                      X                                                 X                            X     X                         
                                                                        X                            X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000019142   -0.000008689   -0.000002759
      2        6           0.000019496   -0.000009202    0.000000084
      3        6          -0.000005228    0.000026183    0.000008564
      4        6          -0.000009708   -0.000006748    0.000002181
      5        6           0.000017954   -0.000014374   -0.000002234
      6        6          -0.000003754    0.000020646    0.000002007
      7        6           0.000013547   -0.000023370   -0.000003121
      8        7          -0.000004167    0.000013031   -0.000006605
      9        6          -0.000000210    0.000004249   -0.000004161
     10        1          -0.000001731   -0.000001449    0.000008296
     11        1          -0.000002998    0.000001177   -0.000001633
     12        1           0.000001379   -0.000000241    0.000001918
     13        1           0.000002069    0.000002363   -0.000000501
     14        1           0.000000902    0.000000221    0.000000946
     15        1           0.000001241   -0.000003242   -0.000003045
     16        1          -0.000001187   -0.000000087   -0.000000091
     17        1          -0.000000722   -0.000000555    0.000000446
     18        1           0.000001207    0.000001662   -0.000002758
     19        1          -0.000002758    0.000000707   -0.000000261
     20        1          -0.000006191   -0.000002281    0.000002726
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000026183 RMS     0.000008194
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.140083D+03  0.113438D+01  0.217097D+01
      2   0.113438D+01  0.114714D+03  0.400869D+01
      3   0.217097D+01  0.400869D+01  0.763566D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.576520D+00 -0.431961D+00  0.227873D+01
      2   0.132933D+02  0.125408D+02 -0.875773D+01
      3   0.162153D+01 -0.300020D+02 -0.129153D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.643496D+02  0.297674D+01  0.803511D+01
      2  -0.263076D+02 -0.702148D+01 -0.129203D+02
      3  -0.380420D+02  0.404474D+01  0.488522D+01
      4  -0.153440D+02  0.494146D+02  0.290288D+02
      5   0.217497D+02  0.307138D+02 -0.231113D+02
      6   0.957397D+01  0.705981D+01 -0.729503D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.354475D+01 -0.240022D+00 -0.570410D+00 -0.685123D+01 -0.394866D+00
      2  -0.240022D+00  0.310728D+01  0.851473D+00 -0.394866D+00 -0.680323D+00
      3  -0.570410D+00  0.851473D+00  0.179830D+01 -0.912262D+00  0.107913D+01
                 6             7             8             9            10 
      1  -0.912262D+00 -0.233437D+01 -0.241444D+00  0.306672D+01  0.429091D+01
      2   0.107913D+01 -0.241444D+00  0.159093D+01 -0.353907D+01  0.225298D+01
      3  -0.262947D+01  0.306672D+01 -0.353907D+01 -0.119739D+01  0.689310D+00
                11            12            13            14            15 
      1   0.225298D+01  0.689310D+00 -0.801753D+01 -0.853938D+00  0.243565D+00
      2  -0.368107D+01  0.108365D+00 -0.853938D+00 -0.191094D+01  0.969849D+00
      3   0.108365D+00 -0.164731D+01  0.243565D+00  0.969849D+00 -0.159346D+01
                16            17            18            19            20 
      1   0.930513D-01  0.939268D+00 -0.777137D+00 -0.194122D+02 -0.297504D+01
      2   0.939268D+00  0.371588D+00 -0.332847D+01 -0.297504D+01 -0.271992D+01
      3  -0.777137D+00 -0.332847D+01 -0.244726D+01 -0.850504D+00 -0.290258D+00
                21            22            23            24            25 
      1  -0.850504D+00 -0.395214D+01  0.149675D+01  0.107768D+01 -0.776905D+00
      2  -0.290258D+00  0.149675D+01  0.430236D-01 -0.108988D-02  0.894881D+00
      3  -0.214745D+01  0.107768D+01 -0.108988D-02 -0.539396D+00 -0.368519D+01
                26            27            28            29            30 
      1   0.894881D+00 -0.368519D+01  0.541649D+01 -0.824042D+00  0.313379D+00
      2   0.154648D+00 -0.562977D+00 -0.824042D+00 -0.395342D+01 -0.921091D+00
      3  -0.562977D+00 -0.144992D+01  0.313379D+00 -0.921091D+00 -0.224935D+01
                31            32            33            34            35 
      1   0.970459D+01  0.110157D+00  0.507983D-01  0.317109D+01 -0.118351D+00
      2   0.110157D+00  0.200153D+01 -0.440424D+00 -0.118351D+00 -0.107976D+01
      3   0.507983D-01 -0.440424D+00  0.203174D+01 -0.179190D+01  0.343723D+01
                36            37            38            39            40 
      1  -0.179190D+01 -0.445426D+01 -0.486381D+00 -0.591954D+00  0.601515D+01
      2   0.343723D+01 -0.486381D+00  0.327671D+01 -0.102225D+00  0.224578D+00
      3   0.824084D+00 -0.591954D+00 -0.102225D+00  0.113198D+01 -0.196694D+00
                41            42            43            44            45 
      1   0.224578D+00 -0.196694D+00  0.203628D+00 -0.960705D+00  0.239332D+01
      2   0.106277D+01 -0.999358D+00 -0.960705D+00 -0.798526D+00  0.399898D+01
      3  -0.999358D+00  0.251292D+01  0.239332D+01  0.399898D+01  0.264877D+01
                46            47            48            49            50 
      1   0.673108D+01  0.363490D+00 -0.645253D+00  0.118781D+01 -0.123568D+01
      2   0.363490D+00  0.341880D+01  0.368319D-01 -0.123568D+01 -0.108172D+00
      3  -0.645253D+00  0.368319D-01  0.332106D+01 -0.122664D+01 -0.303430D+00
                51            52            53            54            55 
      1  -0.122664D+01 -0.184541D+00 -0.118538D+01  0.560469D+01  0.500762D+01
      2  -0.303430D+00 -0.118538D+01  0.350241D+00  0.117005D+00  0.241692D+01
      3  -0.619080D-01  0.560469D+01  0.117005D+00  0.134138D+01  0.110294D+00
                56            57            58            59            60 
      1   0.241692D+01  0.110294D+00  0.870654D+01  0.533331D+01 -0.153617D+01
      2   0.364706D+01 -0.183474D+01  0.533331D+01  0.124911D+01 -0.466643D+00
      3  -0.183474D+01  0.235574D+01 -0.153617D+01 -0.466643D+00  0.494138D+01
                61            62            63            64            65 
      1  -0.171962D+00 -0.216909D+01  0.405264D+01  0.825900D+01  0.437125D+00
      2  -0.216909D+01 -0.272821D+01  0.483683D+01  0.437125D+00 -0.177143D+01
      3   0.405264D+01  0.483683D+01  0.551005D+01  0.121092D+01  0.137172D+01
                66            67            68            69            70 
      1   0.121092D+01 -0.823936D+00 -0.241340D+01  0.198776D+01  0.192801D+01
      2   0.137172D+01 -0.241340D+01  0.174008D+01 -0.104222D+01  0.165833D+01
      3  -0.224437D+00  0.198776D+01 -0.104222D+01 -0.282929D+01  0.164795D+00
                71            72            73            74            75 
      1   0.165833D+01  0.164795D+00  0.984031D+01  0.101148D+01  0.183891D+01
      2  -0.570725D+00 -0.189973D+01  0.101148D+01 -0.457302D+01  0.162070D+01
      3  -0.189973D+01 -0.483887D+01  0.183891D+01  0.162070D+01 -0.217967D+01
                76            77            78            79            80 
      1  -0.372576D+01 -0.441400D+01  0.204797D+01  0.604306D+01  0.278381D+01
      2  -0.441400D+01  0.374190D+01  0.500229D+00  0.278381D+01  0.267261D+01
      3   0.204797D+01  0.500229D+00 -0.363585D+01 -0.233645D+01 -0.359908D+01
                81            82            83            84            85 
      1  -0.233645D+01  0.277448D+00  0.412474D+00  0.390827D+00  0.145735D+01
      2  -0.359908D+01  0.412474D+00  0.228715D+00 -0.302939D+00 -0.846473D+00
      3  -0.432792D+01  0.390827D+00 -0.302939D+00  0.498824D+00 -0.879865D+00
                86            87            88            89            90 
      1  -0.846473D+00 -0.879865D+00  0.217107D+01 -0.126710D+01 -0.114227D+01
      2   0.254372D+01  0.982613D+00 -0.126710D+01  0.235742D+01  0.278022D+01
      3   0.982613D+00  0.288102D+01 -0.114227D+01  0.278022D+01  0.499496D+01
                91            92            93            94            95 
      1  -0.244979D+01 -0.781759D+00 -0.174594D+01 -0.318188D+01 -0.181550D+01
      2  -0.781759D+00 -0.777178D+00 -0.251096D+00 -0.181550D+01 -0.136408D+01
      3  -0.174594D+01 -0.251096D+00 -0.151937D+01 -0.646522D+00 -0.149636D+01
                96            97            98            99           100 
      1  -0.646522D+00 -0.484162D+01 -0.566349D+00 -0.317077D+01 -0.454075D+00
      2  -0.149636D+01 -0.566349D+00 -0.150150D+01 -0.216634D+01 -0.766766D-03
      3  -0.246240D+01 -0.317077D+01 -0.216634D+01 -0.769827D+01  0.673176D+00
               101           102           103           104           105 
      1  -0.766766D-03  0.673176D+00  0.100270D+01  0.166004D+00 -0.532423D+00
      2   0.587174D+00 -0.149853D+00  0.166004D+00  0.243151D+00  0.988893D+00
      3  -0.149853D+00  0.110333D+01 -0.532423D+00  0.988893D+00  0.231335D+01
               106           107           108           109           110 
      1   0.107344D+01  0.156879D+00 -0.493223D+00  0.787555D+00 -0.880006D+00
      2   0.156879D+00  0.132022D+01  0.515907D+00 -0.880006D+00  0.229465D+01
      3  -0.493223D+00  0.515907D+00  0.723308D+01 -0.340279D+00 -0.571702D+00
               111           112           113           114           115 
      1  -0.340279D+00 -0.178352D+01  0.856556D+00  0.766401D-01 -0.661562D+00
      2  -0.571702D+00  0.856556D+00 -0.889183D+01  0.917225D+00 -0.332389D+00
      3   0.687857D+00  0.766401D-01  0.917225D+00 -0.120008D+01  0.260592D+00
               116           117           118           119           120 
      1  -0.332389D+00  0.260592D+00 -0.137833D+02 -0.266550D+01  0.893227D-01
      2  -0.306844D+00 -0.714722D+00 -0.266550D+01 -0.136851D+01  0.149833D+00
      3  -0.714722D+00  0.436946D+00  0.893227D-01  0.149833D+00 -0.113473D+01
               121           122           123           124           125 
      1  -0.488785D+00 -0.115417D+01 -0.244396D+00 -0.281170D+01 -0.588903D+00
      2  -0.115417D+01 -0.107759D+01 -0.399119D-01 -0.588903D+00 -0.706017D+00
      3  -0.244396D+00 -0.399119D-01  0.222529D+00 -0.111558D+01 -0.544114D-01
               126           127           128           129           130 
      1  -0.111558D+01 -0.317223D+01  0.209135D+01 -0.123935D+00  0.240806D+01
      2  -0.544114D-01  0.209135D+01 -0.214940D+01 -0.232277D+00 -0.263363D+01
      3   0.785815D-01 -0.123935D+00 -0.232277D+00 -0.809415D-01 -0.205166D+00
               131           132           133           134           135 
      1  -0.263363D+01 -0.205166D+00 -0.377930D+00 -0.844237D-01  0.172045D-01
      2   0.678720D+01  0.475384D+00 -0.844237D-01  0.433837D+00  0.941014D-01
      3   0.475384D+00  0.697968D+00  0.172045D-01  0.941014D-01 -0.882024D-01
               136           137           138           139           140 
      1   0.297356D+01  0.309044D+01  0.766219D+00  0.283569D+01  0.430269D+01
      2   0.309044D+01  0.323532D+01  0.773628D+00  0.430269D+01  0.883365D+01
      3   0.766219D+00  0.773628D+00  0.505435D+00  0.880754D+00  0.170561D+01
               141           142           143           144           145 
      1   0.880754D+00  0.774148D+00  0.102786D+01  0.278245D+00  0.136579D+02
      2   0.170561D+01  0.102786D+01  0.184996D+01  0.310544D+00  0.398157D+00
      3   0.100356D+01  0.278245D+00  0.310544D+00  0.186565D+00  0.136359D+01
               146           147           148           149           150 
      1   0.398157D+00  0.136359D+01  0.309292D+00  0.161898D+01  0.353446D+00
      2   0.687249D+00  0.362483D-01  0.161898D+01  0.143315D+00  0.164800D+00
      3   0.362483D-01  0.850408D+00  0.353446D+00  0.164800D+00  0.963653D-01
               151           152           153           154           155 
      1   0.152211D+01  0.366021D+00 -0.307613D-02  0.408371D+01 -0.366500D+01
      2   0.366021D+00  0.712809D-01  0.209632D-01 -0.366500D+01  0.359459D+01
      3  -0.307613D-02  0.209632D-01  0.104613D+00 -0.322774D+00  0.297622D+00
               156           157           158           159           160 
      1  -0.322774D+00 -0.347763D+01  0.468008D+01  0.666167D+00 -0.335723D+00
      2   0.297622D+00  0.468008D+01 -0.766126D+01 -0.954618D+00  0.461230D+00
      3   0.420970D+00  0.666167D+00 -0.954618D+00 -0.723457D+00  0.937835D-02
               161           162           163           164           165 
      1   0.461230D+00  0.937835D-02 -0.208187D+01 -0.192324D+01 -0.426338D+00
      2  -0.107762D+01 -0.175450D+00 -0.192324D+01 -0.198799D+01 -0.643475D+00
      3  -0.175450D+00 -0.122311D+00 -0.426338D+00 -0.643475D+00 -0.317118D+00
               166           167           168           169           170 
      1  -0.182470D+01 -0.241688D+01 -0.538883D+00 -0.542870D+00 -0.792150D+00
      2  -0.241688D+01 -0.724137D+01 -0.173414D+01 -0.792150D+00 -0.169310D+01
      3  -0.538883D+00 -0.173414D+01 -0.105645D+01 -0.167387D+00 -0.497116D+00
               171           172           173           174           175 
      1  -0.167387D+00 -0.119731D+02  0.196734D+01 -0.182856D+01  0.499924D+00
      2  -0.497116D+00  0.196734D+01 -0.109561D+01  0.532330D-01 -0.610574D+00
      3  -0.330657D+00 -0.182856D+01  0.532330D-01 -0.117352D+01 -0.465763D+00
               176           177           178           179           180 
      1  -0.610574D+00 -0.465763D+00 -0.394042D+01  0.180104D-01 -0.116462D+01
      2   0.546110D+00 -0.305531D+00  0.180104D-01 -0.710445D+00  0.425594D+00
      3  -0.305531D+00  0.309122D-01 -0.116462D+01  0.425594D+00 -0.858225D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.144626D+01 -0.445128D+00  0.332913D+01 -0.134802D+01  0.474403D+00
      2  -0.858037D+00  0.276110D+01  0.203944D+01 -0.999942D+00  0.365365D+01
      3  -0.245808D+01 -0.146558D+02 -0.258609D+01  0.413448D+01 -0.998963D+00
                 6             7             8             9            10 
      1  -0.309010D+01  0.692455D+01  0.271898D+01  0.124187D+01  0.515821D-02
      2  -0.712780D+01 -0.584282D+01 -0.105303D+02 -0.375891D+01  0.303921D+01
      3  -0.261773D+01 -0.467854D+00 -0.480438D+01  0.413803D+01  0.918165D+00
                11            12            13            14            15 
      1   0.104426D+01 -0.305346D+01  0.135041D+01 -0.821455D+00 -0.301754D+01
      2   0.131855D+01 -0.155389D+01  0.146316D+01 -0.165471D+01 -0.111725D+01
      3  -0.713952D+00 -0.150997D+01  0.730736D+00  0.757723D+01  0.861934D-01
                16            17            18            19            20 
      1  -0.578680D+01  0.213249D+01 -0.123991D+01  0.993645D+00 -0.487194D+00
      2  -0.141609D+02 -0.130789D+01 -0.284067D+01  0.325847D+00 -0.163971D+01
      3  -0.518452D+01 -0.212356D+00  0.611308D+01 -0.707824D+01  0.801241D+01
                21            22            23            24            25 
      1  -0.107214D+01 -0.309956D+01 -0.141733D+01  0.158591D+01  0.143172D+01
      2  -0.126589D+01 -0.216704D+01  0.646574D+00  0.756437D+00 -0.139859D+02
      3   0.495668D+00  0.170022D+02  0.342864D+00  0.362539D+00  0.406171D+00
                26            27            28            29            30 
      1   0.107685D+02  0.215364D+01 -0.923802D+00 -0.411596D+00  0.365816D+01
      2   0.665023D+00 -0.500148D+00  0.239653D+01 -0.262824D+00 -0.143160D+01
      3   0.312451D+01 -0.917275D+00  0.603512D+01  0.773293D-01  0.184866D+01
                31            32            33            34            35 
      1  -0.105826D+01 -0.194867D+00 -0.270875D+01  0.507834D+01  0.213304D+01
      2   0.407709D+01  0.132425D+01  0.422882D+00 -0.135469D+02  0.364332D+00
      3   0.594067D+01 -0.587680D+01  0.120186D+00  0.206135D+01 -0.616684D-01
                36            37            38            39            40 
      1   0.161845D+00  0.120016D+01  0.764318D+00 -0.208982D+01  0.108176D+01
      2  -0.409027D+00 -0.289216D+00  0.125882D+01 -0.222317D+00  0.776552D+00
      3  -0.541789D+01 -0.266739D+01 -0.111782D+02 -0.248994D+01  0.545869D+01
                41            42            43            44            45 
      1   0.157755D+00 -0.368235D+01 -0.573457D+01  0.179600D+01 -0.150338D+01
      2  -0.315396D+01  0.722393D+01 -0.804219D+01  0.101541D+02  0.397553D+01
      3  -0.214834D+01  0.197797D+01 -0.380717D+00  0.116137D+01 -0.527836D+01
                46            47            48            49            50 
      1   0.175920D+00 -0.816171D+00 -0.666534D+00 -0.119410D+01 -0.291634D+01
      2  -0.209660D+00 -0.357974D+00  0.100589D+02 -0.369242D+01 -0.532956D+00
      3   0.478691D+00 -0.814692D+01  0.531081D+00  0.131722D+02  0.340002D+01
                51            52            53            54            55 
      1   0.351320D+01 -0.905098D+00  0.115065D+02  0.271537D+01 -0.238733D+01
      2  -0.518035D+00  0.930645D+01  0.414885D+00  0.285692D+01  0.242637D+01
      3   0.204875D+01  0.345309D+01  0.121019D+01  0.109336D+01  0.760083D+01
                56            57            58            59            60 
      1   0.853972D-01  0.117189D+00 -0.254571D+01 -0.155411D+01  0.207089D+01
      2   0.357055D+01 -0.342897D+01  0.542829D+01  0.283631D+01 -0.762365D+01
      3   0.517487D+01 -0.261688D+01  0.142099D+02 -0.446811D+01  0.948928D+00
                61            62            63            64            65 
      1   0.472280D+01  0.708040D+01 -0.798400D+00 -0.293191D+01 -0.208568D+01
      2  -0.145477D+02 -0.991851D+01 -0.872878D+01  0.420428D+00 -0.234973D+01
      3  -0.197343D+01 -0.699940D+01  0.101787D+02  0.186292D+02 -0.105592D+02
                66            67            68            69            70 
      1   0.961440D+00 -0.122352D+01 -0.103343D+01  0.433093D-01 -0.505030D+01
      2   0.477174D+01 -0.338107D+01  0.166241D+01  0.643623D+01 -0.354231D+01
      3   0.600372D+01  0.177435D+01  0.322428D+01 -0.153173D+01  0.640680D+01
                71            72            73            74            75 
      1   0.889384D+01  0.102955D+02  0.485906D+01 -0.225224D+01 -0.244262D+01
      2   0.708045D+01  0.108471D+02 -0.128236D+02 -0.611514D+01  0.731511D+01
      3   0.277394D+00 -0.573273D+01 -0.105514D+02 -0.189537D+02  0.184734D+01
                76            77            78            79            80 
      1   0.299439D+00  0.103524D+02 -0.797635D+01 -0.137660D+01 -0.287672D+01
      2  -0.787818D+01  0.552830D+00  0.779961D+01  0.225153D+01  0.793639D+01
      3  -0.110719D+02  0.216461D+02 -0.894532D+00  0.248190D+01  0.248887D+01
                81            82            83            84            85 
      1  -0.819848D+01 -0.467708D+00  0.639421D+00 -0.572072D+00  0.168451D+01
      2   0.125358D+02 -0.163869D+01  0.105391D+01 -0.820989D+00  0.218207D+01
      3  -0.764360D+01  0.260126D+01  0.943532D+00 -0.213429D+00  0.102200D+01
                86            87            88            89            90 
      1  -0.238345D+01 -0.654784D+01  0.322408D+01 -0.330367D+01 -0.118652D+02
      2  -0.265768D+01 -0.749691D+01 -0.495154D-01 -0.736361D+01 -0.116695D+02
      3   0.536784D+01  0.150895D+01  0.679199D+00  0.619480D+01  0.680602D+01
                91            92            93            94            95 
      1  -0.107918D+01  0.126580D+01 -0.471548D+00  0.142420D+01  0.688544D+00
      2   0.174941D+01  0.534535D+00  0.333314D+01 -0.281247D+00  0.137990D+01
      3  -0.184055D+01 -0.411800D+01 -0.449590D+00 -0.177691D+01 -0.152460D+01
                96            97            98            99           100 
      1  -0.152857D+01 -0.154634D+01  0.204957D+01 -0.136475D+01  0.753645D+00
      2   0.450048D+01  0.150561D+01  0.360201D+01  0.127901D+02 -0.183121D+01
      3  -0.350045D+01  0.100921D+00 -0.321905D+01 -0.488029D+01  0.671663D+00
               101           102           103           104           105 
      1   0.957538D+00  0.122339D+01  0.509085D-01  0.223084D+01  0.223700D+01
      2   0.879741D-01 -0.238039D+01 -0.752087D-01 -0.260510D+01 -0.552663D+01
      3   0.111546D+01 -0.733227D+00  0.121578D+01  0.320985D+00  0.249141D+01
               106           107           108           109           110 
      1  -0.325609D+00  0.501298D+01  0.106630D+02 -0.204443D+01  0.187552D+01
      2  -0.324261D+01 -0.206604D+01 -0.178163D+02 -0.204289D+00  0.185680D+01
      3  -0.104846D+01  0.361884D+01  0.232445D+01 -0.738946D+01  0.833745D+01
               111           112           113           114           115 
      1   0.162852D+01  0.185505D+01 -0.661440D+01 -0.362819D+01  0.786235D+00
      2  -0.114057D+01  0.167967D+01 -0.326944D+01  0.204498D+01 -0.150768D+01
      3  -0.315049D+00  0.103866D+02 -0.250342D+02  0.188938D+01  0.107613D+01
               116           117           118           119           120 
      1  -0.415994D+00  0.612650D+00 -0.458022D+00 -0.730735D+00 -0.212468D+01
      2   0.121627D+01 -0.946898D+00  0.765107D+01  0.796249D+00  0.691017D+01
      3  -0.111627D+01 -0.220283D+01  0.108262D+02 -0.454311D+01  0.652132D+00
               121           122           123           124           125 
      1  -0.409723D+00 -0.848304D+00 -0.386629D+00 -0.137692D+01  0.711367D+00
      2   0.148098D+01  0.528955D+00 -0.233904D+00  0.226288D+01 -0.825695D-01
      3   0.106654D+00 -0.237359D+01 -0.128751D+00  0.565707D+00 -0.120520D+01
               126           127           128           129           130 
      1  -0.835348D-02  0.114832D+01 -0.261430D+00  0.137787D+01 -0.477933D-01
      2   0.192948D+00  0.159031D+01 -0.212341D-01 -0.121060D+00 -0.435708D+00
      3   0.127798D+01 -0.107295D+02  0.478303D+01 -0.499799D+00  0.876138D+01
               131           132           133           134           135 
      1  -0.684856D-01 -0.335138D+01 -0.382336D+00  0.186660D+01  0.276957D+00
      2   0.848173D+00 -0.888404D+00 -0.135984D+01  0.341995D+00 -0.118698D+00
      3  -0.648240D+01 -0.741342D+00 -0.812041D+00  0.689780D-01  0.160216D-02
               136           137           138           139           140 
      1  -0.295308D+00 -0.278856D-01 -0.189156D+01 -0.184684D+00  0.443189D+00
      2   0.577771D+00  0.908595D+00  0.213277D+01  0.814262D+00  0.278012D+01
      3  -0.107530D+01 -0.348888D+01 -0.514693D+00 -0.219454D+01 -0.134092D+02
               141           142           143           144           145 
      1  -0.403180D+01  0.575604D+00  0.203941D+01 -0.510511D+00 -0.135896D+00
      2   0.325922D+01 -0.535056D+00 -0.278769D+00  0.494505D+00  0.206385D+01
      3  -0.232519D+01 -0.310589D+00 -0.260755D+01 -0.215765D+00  0.415998D+00
               146           147           148           149           150 
      1   0.439691D+00 -0.190937D+00  0.242299D+00  0.167789D-01 -0.407707D+00
      2  -0.742925D-01  0.616394D+01  0.135096D+01  0.348747D+00  0.389838D+00
      3  -0.528723D+01  0.189767D+00 -0.393825D+01 -0.205179D+00 -0.405226D+00
               151           152           153           154           155 
      1   0.533649D-01  0.470280D+00 -0.162454D-01  0.306084D+00 -0.604062D+00
      2  -0.288162D+01  0.407441D-01  0.557796D+00  0.296048D+00 -0.364081D+00
      3  -0.123864D+01 -0.499284D+00 -0.298950D+00  0.132237D+01 -0.483904D+01
               156           157           158           159           160 
      1   0.205052D+01  0.247971D+00  0.183819D+00 -0.364911D+01 -0.941638D+00
      2   0.231235D+01  0.459245D+00 -0.106447D+01 -0.298462D+01 -0.762950D+00
      3  -0.431993D-01 -0.335247D+01  0.124694D+02  0.114710D+01 -0.619515D+00
               161           162           163           164           165 
      1   0.168219D+01 -0.300873D+00  0.752333D+00  0.347434D+00 -0.148081D+01
      2   0.694559D+00 -0.257482D+00 -0.162677D+01 -0.936105D+00  0.323780D+00
      3   0.205290D+01  0.249951D+00  0.800667D+01  0.443899D+01  0.805701D+00
               166           167           168           169           170 
      1   0.723301D+00  0.104022D+01 -0.357842D+01  0.470220D+00  0.244215D+01
      2  -0.174153D+01 -0.163234D+01  0.527612D+00 -0.179996D+01 -0.471315D+00
      3   0.799498D+01  0.833464D+01  0.199440D+01  0.166131D+01  0.255305D+01
               171           172           173           174           175 
      1  -0.409410D+00  0.197552D+01  0.702748D+00  0.170997D+01  0.106450D+01
      2   0.243204D+00 -0.196836D+01 -0.221464D-01  0.518331D+01  0.940063D+00
      3   0.189948D+00 -0.142869D+02 -0.375827D+01 -0.240662D+01  0.468586D+00
               176           177           178           179           180 
      1   0.260336D+00 -0.445236D-01  0.730030D+00  0.651343D+00  0.989800D-01
      2   0.873854D-02  0.155990D+00  0.436448D+00 -0.105866D+01  0.146181D+01
      3   0.404918D+00 -0.134018D+01 -0.685681D+01 -0.202576D+01  0.214580D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.170865D+01  0.232565D+02  0.522294D+01 -0.282909D+02  0.590386D+01
      2  -0.438604D+01 -0.131208D+02  0.828234D+00  0.278862D+02 -0.113387D+02
      3   0.267739D+01 -0.101357D+02 -0.605117D+01  0.404663D+00  0.543486D+01
      4   0.191850D+02  0.243647D+01  0.499732D+01  0.673044D+01  0.127283D+02
      5   0.419849D+00  0.447978D+01  0.440127D+01 -0.287295D+01  0.832822D+01
      6   0.253878D+01 -0.230126D+01 -0.779485D+01  0.681624D+01 -0.584787D+01
                 6             7             8             9            10 
      1   0.151697D+01 -0.835385D+01  0.629503D+01  0.461480D+00  0.931534D+01
      2  -0.184302D+01  0.918416D+01 -0.858651D+01 -0.735668D+01 -0.745476D+01
      3   0.326050D+00 -0.830314D+00  0.229147D+01  0.689520D+01 -0.186059D+01
      4   0.919246D+01  0.211581D+01  0.748984D+01 -0.155591D+02 -0.111985D+02
      5  -0.149311D+02  0.197136D+02 -0.155012D+02 -0.806880D+01 -0.504454D-01
      6   0.756332D+01 -0.756539D+01  0.137803D+02 -0.629106D+00 -0.270077D+01
                11            12            13            14            15 
      1  -0.131798D+02 -0.283413D-01  0.497793D+01  0.615045D+01  0.453973D+01
      2   0.946951D+01 -0.247610D+01 -0.112160D+02 -0.928780D+01 -0.611447D+01
      3   0.371026D+01  0.250444D+01  0.623809D+01  0.313735D+01  0.157474D+01
      4  -0.189395D+02 -0.467716D+01  0.115314D+02 -0.125265D+02 -0.208929D+01
      5  -0.450810D+01 -0.494622D+01  0.813207D+00 -0.219648D+01 -0.571682D+00
      6  -0.296155D+01  0.664986D+01 -0.558017D+01 -0.915952D+01  0.410560D+01
                16            17            18            19            20 
      1   0.222338D+01  0.104965D+01 -0.162643D+02 -0.230598D+02 -0.460007D+00
      2  -0.426520D+01 -0.684833D+01  0.944203D+00  0.806208D+01  0.101031D+01
      3   0.204181D+01  0.579868D+01  0.153201D+02  0.149978D+02 -0.550308D+00
      4   0.524240D+00 -0.414127D+01 -0.658420D+01  0.155045D+02  0.404776D+01
      5  -0.626754D+00 -0.578459D+01 -0.617315D+01  0.144599D+01  0.953867D+00
      6   0.317967D+01  0.119719D+02  0.523575D+01 -0.585525D+00 -0.348038D+00
                21            22            23            24            25 
      1   0.107235D+01 -0.613191D-01 -0.295232D+01  0.935746D+00 -0.100872D+02
      2  -0.110985D+01 -0.170318D+01  0.101125D+02  0.352615D+01  0.272656D+01
      3   0.374933D-01  0.176450D+01 -0.716014D+01 -0.446190D+01  0.736063D+01
      4   0.141821D+01 -0.611602D+01 -0.264704D+01 -0.101780D+01 -0.255598D+01
      5   0.769506D-01 -0.370362D+01 -0.144694D+00  0.207329D+01  0.365147D+01
      6   0.686748D+00 -0.180908D+01  0.176754D+01 -0.311410D+01 -0.111071D+01
                26            27            28            29            30 
      1  -0.724163D+00 -0.925188D+01  0.671557D+01  0.156912D+02  0.492207D+01
      2   0.122445D+01 -0.343640D+01 -0.638809D+01 -0.106595D+02 -0.832797D+00
      3  -0.500289D+00  0.126883D+02 -0.327476D+00 -0.503173D+01 -0.408927D+01
      4  -0.376351D+01  0.284982D+01  0.378840D+01 -0.135475D+02 -0.423806D+00
      5   0.229000D+01 -0.406592D+00  0.172470D+01 -0.585555D+00 -0.203020D+01
      6   0.604391D+01 -0.255438D+01  0.267937D+01 -0.237990D+01 -0.765922D+01
                31            32            33            34            35 
      1  -0.293847D+01  0.770375D+00  0.183235D+01 -0.656737D+00  0.302176D+01
      2   0.117827D+02 -0.582822D+01 -0.206489D+01  0.282083D+01 -0.509201D+01
      3  -0.884422D+01  0.505784D+01  0.232543D+00 -0.216409D+01  0.207024D+01
      4   0.233981D+01  0.135810D+02  0.166127D+01 -0.466927D+00 -0.240921D+01
      5   0.145163D+01  0.148614D+01 -0.232712D+00  0.394330D+01  0.416472D+01
      6   0.521626D+01 -0.286313D+01  0.690392D+01 -0.209053D+01  0.142591D+02
                36            37            38            39            40 
      1  -0.152564D+02  0.290288D+01 -0.214592D+02 -0.230904D+01  0.272279D+02
      2   0.287569D+01 -0.239059D+01  0.130710D+02  0.758413D+00 -0.263477D+02
      3   0.123808D+02 -0.512291D+00  0.838815D+01  0.155062D+01 -0.880221D+00
      4   0.373076D+01 -0.109112D+02 -0.531635D+01 -0.494279D+01  0.710464D+01
      5  -0.145662D+01 -0.458220D+01 -0.474540D+01 -0.241647D+01 -0.120750D+01
      6   0.376917D+00 -0.562171D+01 -0.272124D+01  0.542509D+01 -0.571771D+01
                41            42            43            44            45 
      1   0.103319D+02  0.146281D+01  0.250923D+01 -0.322814D+01 -0.508253D+01
      2  -0.150517D+02 -0.640159D+01 -0.660448D+01 -0.488785D+01 -0.574117D+01
      3   0.471981D+01  0.493878D+01  0.409525D+01  0.811599D+01  0.108237D+02
      4  -0.536490D+01 -0.672833D+01 -0.533209D+01 -0.985210D+01  0.154716D+02
      5  -0.666939D+01  0.150574D+02  0.148586D+02  0.157120D+02  0.814113D+01
      6  -0.936735D+01  0.687149D+01  0.596199D+01  0.144438D+02  0.407738D+01
                46            47            48            49            50 
      1  -0.106857D+02 -0.108974D+01 -0.792590D+01  0.481067D+01 -0.203097D+02
      2   0.559148D+01  0.101436D+01  0.404697D+01 -0.276289D+01  0.180206D+02
      3   0.509427D+01  0.753843D-01  0.387893D+01 -0.204778D+01  0.228906D+01
      4  -0.170916D+01  0.261307D+02  0.236392D+00 -0.225872D+02 -0.635135D+01
      5  -0.925168D+01  0.963973D-01  0.225657D+02 -0.110590D+02 -0.270450D+01
      6   0.663808D+00  0.796036D+00  0.151282D+01 -0.286365D+01  0.375949D+01
                51            52            53            54            55 
      1  -0.599868D+01 -0.889319D+01 -0.658892D+01  0.142843D+02  0.184073D+02
      2   0.959454D+01  0.309192D+01  0.500516D+01 -0.184799D+02 -0.693013D+01
      3  -0.359586D+01  0.580126D+01  0.158376D+01  0.419558D+01 -0.114772D+02
      4  -0.355270D+01 -0.119664D+02  0.962628D+00 -0.594502D+00 -0.954949D+01
      5  -0.967596D+00  0.372090D+02  0.202544D+00  0.614311D+01 -0.426037D+00
      6  -0.698209D+01  0.132119D+00  0.653648D+01 -0.429931D+01  0.846941D+00
                56            57            58            59            60 
      1   0.744598D+00 -0.612514D+00 -0.136178D+01 -0.817483D+01  0.469377D+00
      2   0.286120D+01  0.229383D+00  0.817504D+01  0.363163D+01 -0.160450D+01
      3  -0.360580D+01  0.383132D+00 -0.681326D+01  0.454320D+01  0.113512D+01
      4  -0.231853D+02  0.687468D+01 -0.340430D+02 -0.445034D+01  0.423275D+01
      5   0.750586D+01 -0.154245D+02  0.124535D+02  0.310273D+01 -0.211293D+02
      6   0.191536D+01 -0.194574D+01  0.481303D+01  0.933142D+01 -0.132263D+02
                61            62            63            64            65 
      1   0.151224D+02  0.782950D+01 -0.195807D+01 -0.425778D+02  0.706534D+01
      2   0.229706D+01  0.196646D+01  0.100629D+02  0.261519D+02 -0.845301D+01
      3  -0.174194D+02 -0.979596D+01 -0.810484D+01  0.164259D+02  0.138767D+01
      4   0.154932D+02  0.156523D+02 -0.261504D+02  0.967710D+01  0.150369D+02
      5  -0.228381D+02 -0.241800D+02 -0.223022D+02 -0.132624D+02 -0.644882D+01
      6  -0.133898D+02 -0.456676D+01 -0.561946D+01  0.256142D+01  0.488841D+01
                66            67            68            69            70 
      1  -0.117493D+02  0.320650D+01 -0.233518D+01 -0.197165D+01 -0.123278D+02
      2   0.788279D+01 -0.626728D+01  0.165112D+02  0.744743D-01  0.942466D+01
      3   0.386651D+01  0.306078D+01 -0.141760D+02  0.189718D+01  0.290312D+01
      4  -0.525706D+01  0.204113D+02 -0.136747D+02  0.663213D+01 -0.827315D+01
      5   0.591487D+01 -0.141101D+02  0.597229D+01  0.125109D+02  0.252091D+01
      6  -0.289605D+01  0.309716D+01 -0.985396D+01  0.204770D+01  0.281955D+01
                71            72            73            74            75 
      1   0.319918D+00 -0.744010D+00 -0.606535D+02 -0.184741D+02 -0.173687D+01
      2  -0.115309D+01 -0.769087D+01  0.250761D+02  0.171298D+02  0.412116D+01
      3   0.833172D+00  0.843488D+01  0.355774D+02  0.134429D+01 -0.238429D+01
      4   0.602265D+01  0.100565D+02 -0.207029D+02  0.189059D+02 -0.847017D+01
      5   0.939104D+01  0.229881D+02 -0.348155D+01 -0.568326D+01  0.126922D+02
      6  -0.165567D+01 -0.170326D+02 -0.493854D+01 -0.654963D+01  0.483764D+01
                76            77            78            79            80 
      1  -0.694675D+01  0.220070D+02  0.234141D+01 -0.143111D+02 -0.863699D+00
      2   0.669817D+01 -0.250720D+02  0.736044D+01  0.625796D+01  0.296456D+01
      3   0.248583D+00  0.306496D+01 -0.970184D+01  0.805319D+01 -0.210086D+01
      4   0.213567D+02 -0.873095D+01 -0.381381D+01 -0.190586D+02 -0.134145D+02
      5  -0.112904D+02 -0.679403D+01  0.173581D+02  0.164501D+02  0.190151D+02
      6  -0.679051D+01 -0.525690D+01  0.925319D+01  0.916844D+01  0.985674D+01
                81            82            83            84            85 
      1   0.128208D+02  0.813369D+00 -0.334080D+01 -0.217805D+01 -0.577709D+01
      2   0.857138D+01 -0.595136D-01  0.904850D+00  0.901305D-01  0.170785D+01
      3  -0.213922D+02 -0.753855D+00  0.243595D+01  0.208792D+01  0.406924D+01
      4   0.224777D+02 -0.355692D+01  0.190981D+00  0.297028D+01  0.725920D+01
      5   0.160389D+02 -0.233635D+01  0.225888D+01 -0.709704D+00  0.540076D+01
      6   0.444687D-01  0.174967D+01 -0.111736D+01  0.823090D+00 -0.282005D+01
                86            87            88            89            90 
      1  -0.297456D+01  0.616947D+00 -0.781054D+01 -0.820964D+00 -0.608263D+01
      2   0.428246D+01  0.179661D+01  0.346556D+01  0.245868D+01  0.259581D+01
      3  -0.130790D+01 -0.241355D+01  0.434498D+01 -0.163771D+01  0.348682D+01
      4  -0.125568D+02 -0.618964D+01  0.973133D+01 -0.126852D+02 -0.137704D+02
      5  -0.518584D+01 -0.148063D+02  0.739012D+01 -0.139051D+02 -0.245284D+02
      6   0.487564D+01  0.119266D+02 -0.413465D+01  0.115848D+02  0.166542D+02
                91            92            93            94            95 
      1   0.641350D+01  0.137039D+01  0.433155D+01  0.934931D+00 -0.265060D+01
      2  -0.747774D+01 -0.130027D+01 -0.446783D+01 -0.284880D+01 -0.232263D+00
      3   0.106423D+01 -0.701236D-01  0.136284D+00  0.191387D+01  0.288287D+01
      4   0.493070D+01  0.801409D+01  0.259227D+01  0.112375D+02  0.648615D+01
      5   0.996467D+01  0.266677D+01  0.138755D+02  0.400613D+01  0.639344D+01
      6   0.315436D+01 -0.154421D+00  0.194207D+01  0.213029D+01  0.448894D+01
                96            97            98            99           100 
      1  -0.246208D+01  0.284614D+01 -0.334742D+01 -0.104629D+02  0.402392D+01
      2  -0.682628D+00 -0.950154D+01 -0.277660D+01 -0.154018D+02 -0.405210D+01
      3   0.314471D+01  0.665539D+01  0.612401D+01  0.258647D+02  0.281734D-01
      4   0.679969D+01  0.343666D+01  0.724159D+01  0.104795D+02  0.156177D+01
      5   0.107478D+02  0.204380D+02  0.988582D+01  0.334064D+02 -0.272560D+01
      6   0.105195D+02  0.558476D+01  0.696414D+01  0.117697D+02  0.929599D-02
               101           102           103           104           105 
      1   0.203435D+01 -0.646489D+01 -0.189716D+01 -0.417570D+01 -0.227986D+01
      2  -0.187740D+01  0.648881D+00  0.207632D+01  0.102121D+01 -0.597133D+01
      3  -0.156944D+00  0.581601D+01 -0.179161D+00  0.315449D+01  0.825119D+01
      4  -0.167942D+01 -0.528595D+00 -0.883211D-01 -0.224620D+01 -0.481378D+01
      5   0.753898D+00  0.298026D+00  0.422383D+01 -0.359728D+01 -0.104363D+02
      6   0.178038D+01 -0.149882D+01 -0.739890D-01  0.183623D+01  0.303969D+01
               106           107           108           109           110 
      1  -0.592604D+01 -0.481379D+00 -0.172495D+02 -0.259956D+01  0.988948D+01
      2   0.395414D+01 -0.422792D+01 -0.172741D+02  0.516733D+01 -0.111926D+02
      3   0.197190D+01  0.470930D+01  0.345236D+02 -0.256777D+01  0.130315D+01
      4  -0.304344D+01 -0.706413D+01 -0.491259D+01  0.956176D+00 -0.474069D+01
      5   0.724352D+01 -0.258015D+01 -0.302013D+02  0.205449D+01  0.295707D+00
      6   0.702787D+00  0.360092D+01 -0.956463D+01 -0.831050D-02  0.277184D+01
               111           112           113           114           115 
      1  -0.735424D+00  0.102009D+02 -0.285910D+02  0.284578D+01  0.141766D+01
      2  -0.609385D-01 -0.800754D+01  0.427700D+02 -0.166814D+01 -0.694971D+00
      3   0.796362D+00 -0.219333D+01 -0.141789D+02 -0.117764D+01 -0.722687D+00
      4   0.195293D+01  0.354210D+01  0.341608D+02 -0.396672D+01  0.252363D+01
      5  -0.229949D+01 -0.304929D+01 -0.159849D+01  0.454897D+01  0.209827D+00
      6  -0.271621D+01  0.877711D+00 -0.922988D+01  0.679028D+01 -0.161619D+01
               116           117           118           119           120 
      1   0.992180D+00 -0.557175D+01  0.829101D+02  0.118192D+02  0.254585D+01
      2   0.810778D+00  0.303630D+01 -0.388719D+02 -0.274779D+01  0.355809D+00
      3  -0.180296D+01  0.253546D+01 -0.440381D+02 -0.907144D+01 -0.290166D+01
      4   0.213755D+01  0.144530D+01  0.359646D+02  0.168196D+02 -0.336015D-01
      5   0.206665D+01 -0.128790D+01 -0.977480D+01 -0.198174D+01  0.107556D+02
      6   0.699949D+01 -0.134892D+01 -0.943790D+00 -0.163282D+01  0.389159D+01
               121           122           123           124           125 
      1   0.142575D+01  0.480036D+01  0.522116D+00  0.117472D+02  0.120541D+01
      2   0.228670D+01  0.104398D+01 -0.725309D+00 -0.510318D+01  0.203246D+00
      3  -0.371245D+01 -0.584435D+01  0.203193D+00 -0.664402D+01 -0.140866D+01
      4   0.132305D+02  0.827348D+01  0.386697D+00  0.546207D+01  0.419140D+01
      5   0.593140D+00 -0.281705D+00 -0.535181D+00  0.104989D+02  0.981058D+00
      6  -0.105625D+01 -0.582371D+00  0.931252D+00  0.346653D+01  0.106086D+01
               126           127           128           129           130 
      1   0.582896D+01 -0.366284D+01  0.642774D+01  0.102984D+01  0.779005D+01
      2  -0.534279D+01  0.594776D+01 -0.946625D+01 -0.875668D+00 -0.109532D+02
      3  -0.486174D+00 -0.228492D+01  0.303850D+01 -0.154168D+00  0.316317D+01
      4   0.186378D+01 -0.804650D+01  0.599277D+01  0.756845D+00  0.676416D+01
      5   0.688811D-01 -0.105334D+00  0.113200D+01  0.534896D+00  0.993227D+00
      6   0.478714D+00 -0.803722D+00 -0.349182D+00 -0.116063D+01 -0.820231D+00
               131           132           133           134           135 
      1  -0.248319D+02 -0.227543D+01  0.437515D+00 -0.127840D+01 -0.514494D+00
      2   0.336061D+02  0.191469D+01 -0.965581D+00  0.201848D+01  0.138536D+01
      3  -0.877423D+01  0.360737D+00  0.528065D+00 -0.740085D+00 -0.870864D+00
      4  -0.650111D+01 -0.362683D+00 -0.159469D-01 -0.122984D+00 -0.129088D+01
      5  -0.915298D+00 -0.119942D+01  0.624262D+00 -0.710263D+00 -0.160583D+00
      6   0.275823D+01  0.504430D+01 -0.564864D+00  0.155595D+01  0.579755D-01
               136           137           138           139           140 
      1   0.858939D+01  0.695888D+01  0.122315D+01  0.701077D+00 -0.106342D+02
      2   0.236107D+01  0.442849D+01  0.267923D+00  0.116416D+02  0.325614D+02
      3  -0.109505D+02 -0.113874D+02 -0.149108D+01 -0.123426D+02 -0.219272D+02
      4   0.236194D+02  0.269721D+02  0.555833D+01  0.289127D+02  0.492041D+02
      5   0.505666D+01  0.531931D+01  0.528420D+01  0.559663D+01  0.858121D+01
      6   0.385608D+01  0.429620D+01  0.302734D+01  0.550288D+01  0.110193D+02
               141           142           143           144           145 
      1  -0.206947D+01  0.107568D+01 -0.122703D+01 -0.786854D+00  0.104057D+03
      2   0.415746D+01  0.169340D+01  0.532691D+01  0.200538D+01 -0.597425D+02
      3  -0.208798D+01 -0.276909D+01 -0.409988D+01 -0.121852D+01 -0.443142D+02
      4   0.917188D+01  0.741461D+01  0.107919D+02  0.310259D+01  0.423300D+01
      5   0.555625D+01  0.213672D+01  0.252102D+01  0.185556D+01  0.128346D+02
      6   0.789851D+01  0.214375D+01  0.362734D+01  0.255732D+01 -0.196178D+01
               146           147           148           149           150 
      1   0.302523D+01  0.862963D+01  0.170251D+01  0.955831D+01  0.146608D+01
      2  -0.149525D+01 -0.585678D+01 -0.771347D+00 -0.477853D+01 -0.137419D+01
      3  -0.152998D+01 -0.277285D+01 -0.931164D+00 -0.477977D+01 -0.918846D-01
      4   0.838632D+01  0.187491D+00  0.154528D+02  0.120214D+01  0.138082D+01
      5   0.227604D+00  0.101746D+02  0.295198D+01  0.144677D+01  0.662148D+00
      6   0.528188D+00 -0.596652D-01  0.106241D+01 -0.169785D+00  0.172173D+01
               151           152           153           154           155 
      1   0.111612D+02  0.174597D+01  0.297928D+01  0.159535D+02 -0.108734D+02
      2  -0.657820D+01 -0.114908D+01 -0.164717D+01 -0.309377D+00 -0.335422D+01
      3  -0.458296D+01 -0.596887D+00 -0.133211D+01 -0.156441D+02  0.142276D+02
      4   0.309020D+01  0.118767D+01  0.597149D+00 -0.300697D+02  0.307438D+02
      5   0.244616D+01  0.371847D+00  0.198168D+01 -0.375043D+01  0.273716D+01
      6   0.944503D-01  0.606649D+00  0.451464D+00  0.124308D+01 -0.105380D+01
               156           157           158           159           160 
      1  -0.148812D+01 -0.548396D+01 -0.165919D+01 -0.147531D+00  0.663113D+00
      2   0.299177D+00 -0.970933D+01  0.239945D+02  0.140167D+01 -0.179018D+01
      3   0.118894D+01  0.151933D+02 -0.223353D+02 -0.125414D+01  0.112707D+01
      4   0.249298D+01  0.337332D+02 -0.487035D+02 -0.586500D+01  0.327288D+01
      5   0.487710D+01  0.486837D+01 -0.653709D+01 -0.496298D+01  0.167757D+01
      6  -0.259953D+01 -0.326128D+01  0.504880D+01  0.594365D+01 -0.125114D+01
               161           162           163           164           165 
      1  -0.134347D+01 -0.421054D+00 -0.497115D+01 -0.731202D+01 -0.292835D+01
      2   0.344327D+01  0.134890D+01  0.612135D+01  0.862530D+01  0.203520D+01
      3  -0.209980D+01 -0.927846D+00 -0.115020D+01 -0.131328D+01  0.893156D+00
      4  -0.544645D+01 -0.219313D+01  0.526309D+01  0.687493D+01  0.130778D+01
      5  -0.138668D+01 -0.576600D+00  0.414169D+00  0.948469D+00  0.177239D+01
      6   0.203890D+01  0.134558D+01  0.264088D+01  0.423960D+01  0.240629D+01
               166           167           168           169           170 
      1  -0.849630D+01 -0.289075D+02 -0.766400D+01 -0.243725D+01 -0.636534D+01
      2   0.103929D+02  0.365548D+02  0.687339D+01  0.263824D+01  0.743031D+01
      3  -0.189659D+01 -0.764729D+01  0.790616D+00 -0.200989D+00 -0.106496D+01
      4   0.560002D+01  0.196988D+01  0.528916D-01  0.172040D+01  0.945072D+00
      5   0.491157D+00 -0.597482D+00  0.476741D+00  0.111617D+01  0.646020D+00
      6   0.335985D+01  0.119743D+02  0.784951D+01  0.128492D+01  0.430868D+01
               171           172           173           174           175 
      1  -0.269526D+01  0.731772D+02 -0.105814D+02  0.120740D+02 -0.248072D+01
      2   0.289369D+01 -0.398048D+02  0.439600D+01 -0.733142D+01 -0.547658D+00
      3  -0.198429D+00 -0.333724D+02  0.618541D+01 -0.474263D+01  0.302837D+01
      4   0.193025D+01 -0.278050D+02  0.115709D+02 -0.300361D+01  0.771082D+01
      5   0.112934D+01  0.180027D+02 -0.141412D+01  0.109598D+02  0.344933D+01
      6   0.290132D+01 -0.437954D+01  0.353177D+00 -0.287183D+01  0.880551D-01
               176           177           178           179           180 
      1   0.219813D+01  0.364692D+01  0.201530D+02  0.113704D+01  0.506257D+01
      2   0.431529D+00 -0.290441D+01 -0.134985D+02 -0.803379D+00 -0.425318D+01
      3  -0.262966D+01 -0.742514D+00 -0.665450D+01 -0.333661D+00 -0.809393D+00
      4  -0.271811D+01  0.106013D+01 -0.407244D+01  0.227677D+01 -0.294984D+01
      5   0.191147D+01  0.781082D+00  0.114194D+02 -0.206557D+01  0.557977D+01
      6  -0.520384D+00  0.126887D+01 -0.168130D+01  0.169695D+01 -0.893718D+00
 Leave Link  716 at Thu Aug 12 20:28:08 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.140083D+03  0.113438D+01  0.217097D+01
      2   0.113438D+01  0.114714D+03  0.400869D+01
      3   0.217097D+01  0.400869D+01  0.763566D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.576520D+00 -0.431961D+00  0.227873D+01
      2   0.132933D+02  0.125408D+02 -0.875773D+01
      3   0.162153D+01 -0.300020D+02 -0.129153D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.643496D+02  0.297674D+01  0.803511D+01
      2  -0.263076D+02 -0.702148D+01 -0.129203D+02
      3  -0.380420D+02  0.404474D+01  0.488522D+01
      4  -0.153440D+02  0.494146D+02  0.290288D+02
      5   0.217497D+02  0.307138D+02 -0.231113D+02
      6   0.957397D+01  0.705981D+01 -0.729503D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.354475D+01 -0.240022D+00 -0.570410D+00 -0.685123D+01 -0.394866D+00
      2  -0.240022D+00  0.310728D+01  0.851473D+00 -0.394866D+00 -0.680323D+00
      3  -0.570410D+00  0.851473D+00  0.179830D+01 -0.912262D+00  0.107913D+01
                 6             7             8             9            10 
      1  -0.912262D+00 -0.233437D+01 -0.241444D+00  0.306672D+01  0.429091D+01
      2   0.107913D+01 -0.241444D+00  0.159093D+01 -0.353907D+01  0.225298D+01
      3  -0.262947D+01  0.306672D+01 -0.353907D+01 -0.119739D+01  0.689310D+00
                11            12            13            14            15 
      1   0.225298D+01  0.689310D+00 -0.801753D+01 -0.853938D+00  0.243565D+00
      2  -0.368107D+01  0.108365D+00 -0.853938D+00 -0.191094D+01  0.969849D+00
      3   0.108365D+00 -0.164731D+01  0.243565D+00  0.969849D+00 -0.159346D+01
                16            17            18            19            20 
      1   0.930513D-01  0.939268D+00 -0.777137D+00 -0.194122D+02 -0.297504D+01
      2   0.939268D+00  0.371588D+00 -0.332847D+01 -0.297504D+01 -0.271992D+01
      3  -0.777137D+00 -0.332847D+01 -0.244726D+01 -0.850504D+00 -0.290258D+00
                21            22            23            24            25 
      1  -0.850504D+00 -0.395214D+01  0.149675D+01  0.107768D+01 -0.776905D+00
      2  -0.290258D+00  0.149675D+01  0.430236D-01 -0.108988D-02  0.894881D+00
      3  -0.214745D+01  0.107768D+01 -0.108988D-02 -0.539396D+00 -0.368519D+01
                26            27            28            29            30 
      1   0.894881D+00 -0.368519D+01  0.541649D+01 -0.824042D+00  0.313379D+00
      2   0.154648D+00 -0.562977D+00 -0.824042D+00 -0.395342D+01 -0.921091D+00
      3  -0.562977D+00 -0.144992D+01  0.313379D+00 -0.921091D+00 -0.224935D+01
                31            32            33            34            35 
      1   0.970459D+01  0.110157D+00  0.507983D-01  0.317109D+01 -0.118351D+00
      2   0.110157D+00  0.200153D+01 -0.440424D+00 -0.118351D+00 -0.107976D+01
      3   0.507983D-01 -0.440424D+00  0.203174D+01 -0.179190D+01  0.343723D+01
                36            37            38            39            40 
      1  -0.179190D+01 -0.445426D+01 -0.486381D+00 -0.591954D+00  0.601515D+01
      2   0.343723D+01 -0.486381D+00  0.327671D+01 -0.102225D+00  0.224578D+00
      3   0.824084D+00 -0.591954D+00 -0.102225D+00  0.113198D+01 -0.196694D+00
                41            42            43            44            45 
      1   0.224578D+00 -0.196694D+00  0.203628D+00 -0.960705D+00  0.239332D+01
      2   0.106277D+01 -0.999358D+00 -0.960705D+00 -0.798526D+00  0.399898D+01
      3  -0.999358D+00  0.251292D+01  0.239332D+01  0.399898D+01  0.264877D+01
                46            47            48            49            50 
      1   0.673108D+01  0.363490D+00 -0.645253D+00  0.118781D+01 -0.123568D+01
      2   0.363490D+00  0.341880D+01  0.368319D-01 -0.123568D+01 -0.108172D+00
      3  -0.645253D+00  0.368319D-01  0.332106D+01 -0.122664D+01 -0.303430D+00
                51            52            53            54            55 
      1  -0.122664D+01 -0.184541D+00 -0.118538D+01  0.560469D+01  0.500762D+01
      2  -0.303430D+00 -0.118538D+01  0.350241D+00  0.117005D+00  0.241692D+01
      3  -0.619080D-01  0.560469D+01  0.117005D+00  0.134138D+01  0.110294D+00
                56            57            58            59            60 
      1   0.241692D+01  0.110294D+00  0.870654D+01  0.533331D+01 -0.153617D+01
      2   0.364706D+01 -0.183474D+01  0.533331D+01  0.124911D+01 -0.466643D+00
      3  -0.183474D+01  0.235574D+01 -0.153617D+01 -0.466643D+00  0.494138D+01
                61            62            63            64            65 
      1  -0.171962D+00 -0.216909D+01  0.405264D+01  0.825900D+01  0.437125D+00
      2  -0.216909D+01 -0.272821D+01  0.483683D+01  0.437125D+00 -0.177143D+01
      3   0.405264D+01  0.483683D+01  0.551005D+01  0.121092D+01  0.137172D+01
                66            67            68            69            70 
      1   0.121092D+01 -0.823936D+00 -0.241340D+01  0.198776D+01  0.192801D+01
      2   0.137172D+01 -0.241340D+01  0.174008D+01 -0.104222D+01  0.165833D+01
      3  -0.224437D+00  0.198776D+01 -0.104222D+01 -0.282929D+01  0.164795D+00
                71            72            73            74            75 
      1   0.165833D+01  0.164795D+00  0.984031D+01  0.101148D+01  0.183891D+01
      2  -0.570725D+00 -0.189973D+01  0.101148D+01 -0.457302D+01  0.162070D+01
      3  -0.189973D+01 -0.483887D+01  0.183891D+01  0.162070D+01 -0.217967D+01
                76            77            78            79            80 
      1  -0.372576D+01 -0.441400D+01  0.204797D+01  0.604306D+01  0.278381D+01
      2  -0.441400D+01  0.374190D+01  0.500229D+00  0.278381D+01  0.267261D+01
      3   0.204797D+01  0.500229D+00 -0.363585D+01 -0.233645D+01 -0.359908D+01
                81            82            83            84            85 
      1  -0.233645D+01  0.277448D+00  0.412474D+00  0.390827D+00  0.145735D+01
      2  -0.359908D+01  0.412474D+00  0.228715D+00 -0.302939D+00 -0.846473D+00
      3  -0.432792D+01  0.390827D+00 -0.302939D+00  0.498824D+00 -0.879865D+00
                86            87            88            89            90 
      1  -0.846473D+00 -0.879865D+00  0.217107D+01 -0.126710D+01 -0.114227D+01
      2   0.254372D+01  0.982613D+00 -0.126710D+01  0.235742D+01  0.278022D+01
      3   0.982613D+00  0.288102D+01 -0.114227D+01  0.278022D+01  0.499496D+01
                91            92            93            94            95 
      1  -0.244979D+01 -0.781759D+00 -0.174594D+01 -0.318188D+01 -0.181550D+01
      2  -0.781759D+00 -0.777178D+00 -0.251096D+00 -0.181550D+01 -0.136408D+01
      3  -0.174594D+01 -0.251096D+00 -0.151937D+01 -0.646522D+00 -0.149636D+01
                96            97            98            99           100 
      1  -0.646522D+00 -0.484162D+01 -0.566349D+00 -0.317077D+01 -0.454075D+00
      2  -0.149636D+01 -0.566349D+00 -0.150150D+01 -0.216634D+01 -0.766766D-03
      3  -0.246240D+01 -0.317077D+01 -0.216634D+01 -0.769827D+01  0.673176D+00
               101           102           103           104           105 
      1  -0.766766D-03  0.673176D+00  0.100270D+01  0.166004D+00 -0.532423D+00
      2   0.587174D+00 -0.149853D+00  0.166004D+00  0.243151D+00  0.988893D+00
      3  -0.149853D+00  0.110333D+01 -0.532423D+00  0.988893D+00  0.231335D+01
               106           107           108           109           110 
      1   0.107344D+01  0.156879D+00 -0.493223D+00  0.787555D+00 -0.880006D+00
      2   0.156879D+00  0.132022D+01  0.515907D+00 -0.880006D+00  0.229465D+01
      3  -0.493223D+00  0.515907D+00  0.723308D+01 -0.340279D+00 -0.571702D+00
               111           112           113           114           115 
      1  -0.340279D+00 -0.178352D+01  0.856556D+00  0.766401D-01 -0.661562D+00
      2  -0.571702D+00  0.856556D+00 -0.889183D+01  0.917225D+00 -0.332389D+00
      3   0.687857D+00  0.766401D-01  0.917225D+00 -0.120008D+01  0.260592D+00
               116           117           118           119           120 
      1  -0.332389D+00  0.260592D+00 -0.137833D+02 -0.266550D+01  0.893227D-01
      2  -0.306844D+00 -0.714722D+00 -0.266550D+01 -0.136851D+01  0.149833D+00
      3  -0.714722D+00  0.436946D+00  0.893227D-01  0.149833D+00 -0.113473D+01
               121           122           123           124           125 
      1  -0.488785D+00 -0.115417D+01 -0.244396D+00 -0.281170D+01 -0.588903D+00
      2  -0.115417D+01 -0.107759D+01 -0.399119D-01 -0.588903D+00 -0.706017D+00
      3  -0.244396D+00 -0.399119D-01  0.222529D+00 -0.111558D+01 -0.544114D-01
               126           127           128           129           130 
      1  -0.111558D+01 -0.317223D+01  0.209135D+01 -0.123935D+00  0.240806D+01
      2  -0.544114D-01  0.209135D+01 -0.214940D+01 -0.232277D+00 -0.263363D+01
      3   0.785815D-01 -0.123935D+00 -0.232277D+00 -0.809415D-01 -0.205166D+00
               131           132           133           134           135 
      1  -0.263363D+01 -0.205166D+00 -0.377930D+00 -0.844237D-01  0.172045D-01
      2   0.678720D+01  0.475384D+00 -0.844237D-01  0.433837D+00  0.941014D-01
      3   0.475384D+00  0.697968D+00  0.172045D-01  0.941014D-01 -0.882024D-01
               136           137           138           139           140 
      1   0.297356D+01  0.309044D+01  0.766219D+00  0.283569D+01  0.430269D+01
      2   0.309044D+01  0.323532D+01  0.773628D+00  0.430269D+01  0.883365D+01
      3   0.766219D+00  0.773628D+00  0.505435D+00  0.880754D+00  0.170561D+01
               141           142           143           144           145 
      1   0.880754D+00  0.774148D+00  0.102786D+01  0.278245D+00  0.136579D+02
      2   0.170561D+01  0.102786D+01  0.184996D+01  0.310544D+00  0.398157D+00
      3   0.100356D+01  0.278245D+00  0.310544D+00  0.186565D+00  0.136359D+01
               146           147           148           149           150 
      1   0.398157D+00  0.136359D+01  0.309292D+00  0.161898D+01  0.353446D+00
      2   0.687249D+00  0.362483D-01  0.161898D+01  0.143315D+00  0.164800D+00
      3   0.362483D-01  0.850408D+00  0.353446D+00  0.164800D+00  0.963653D-01
               151           152           153           154           155 
      1   0.152211D+01  0.366021D+00 -0.307613D-02  0.408371D+01 -0.366500D+01
      2   0.366021D+00  0.712809D-01  0.209632D-01 -0.366500D+01  0.359459D+01
      3  -0.307613D-02  0.209632D-01  0.104613D+00 -0.322774D+00  0.297622D+00
               156           157           158           159           160 
      1  -0.322774D+00 -0.347763D+01  0.468008D+01  0.666167D+00 -0.335723D+00
      2   0.297622D+00  0.468008D+01 -0.766126D+01 -0.954618D+00  0.461230D+00
      3   0.420970D+00  0.666167D+00 -0.954618D+00 -0.723457D+00  0.937835D-02
               161           162           163           164           165 
      1   0.461230D+00  0.937835D-02 -0.208187D+01 -0.192324D+01 -0.426338D+00
      2  -0.107762D+01 -0.175450D+00 -0.192324D+01 -0.198799D+01 -0.643475D+00
      3  -0.175450D+00 -0.122311D+00 -0.426338D+00 -0.643475D+00 -0.317118D+00
               166           167           168           169           170 
      1  -0.182470D+01 -0.241688D+01 -0.538883D+00 -0.542870D+00 -0.792150D+00
      2  -0.241688D+01 -0.724137D+01 -0.173414D+01 -0.792150D+00 -0.169310D+01
      3  -0.538883D+00 -0.173414D+01 -0.105645D+01 -0.167387D+00 -0.497116D+00
               171           172           173           174           175 
      1  -0.167387D+00 -0.119731D+02  0.196734D+01 -0.182856D+01  0.499924D+00
      2  -0.497116D+00  0.196734D+01 -0.109561D+01  0.532330D-01 -0.610574D+00
      3  -0.330657D+00 -0.182856D+01  0.532330D-01 -0.117352D+01 -0.465763D+00
               176           177           178           179           180 
      1  -0.610574D+00 -0.465763D+00 -0.394042D+01  0.180104D-01 -0.116462D+01
      2   0.546110D+00 -0.305531D+00  0.180104D-01 -0.710445D+00  0.425594D+00
      3  -0.305531D+00  0.309122D-01 -0.116462D+01  0.425594D+00 -0.858225D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.144626D+01 -0.445128D+00  0.332913D+01 -0.134802D+01  0.474403D+00
      2  -0.858037D+00  0.276110D+01  0.203944D+01 -0.999942D+00  0.365365D+01
      3  -0.245808D+01 -0.146558D+02 -0.258609D+01  0.413448D+01 -0.998963D+00
                 6             7             8             9            10 
      1  -0.309010D+01  0.692455D+01  0.271898D+01  0.124187D+01  0.515821D-02
      2  -0.712780D+01 -0.584282D+01 -0.105303D+02 -0.375891D+01  0.303921D+01
      3  -0.261773D+01 -0.467854D+00 -0.480438D+01  0.413803D+01  0.918165D+00
                11            12            13            14            15 
      1   0.104426D+01 -0.305346D+01  0.135041D+01 -0.821455D+00 -0.301754D+01
      2   0.131855D+01 -0.155389D+01  0.146316D+01 -0.165471D+01 -0.111725D+01
      3  -0.713952D+00 -0.150997D+01  0.730736D+00  0.757723D+01  0.861934D-01
                16            17            18            19            20 
      1  -0.578680D+01  0.213249D+01 -0.123991D+01  0.993645D+00 -0.487194D+00
      2  -0.141609D+02 -0.130789D+01 -0.284067D+01  0.325847D+00 -0.163971D+01
      3  -0.518452D+01 -0.212356D+00  0.611308D+01 -0.707824D+01  0.801241D+01
                21            22            23            24            25 
      1  -0.107214D+01 -0.309956D+01 -0.141733D+01  0.158591D+01  0.143172D+01
      2  -0.126589D+01 -0.216704D+01  0.646574D+00  0.756437D+00 -0.139859D+02
      3   0.495668D+00  0.170022D+02  0.342864D+00  0.362539D+00  0.406171D+00
                26            27            28            29            30 
      1   0.107685D+02  0.215364D+01 -0.923802D+00 -0.411596D+00  0.365816D+01
      2   0.665023D+00 -0.500148D+00  0.239653D+01 -0.262824D+00 -0.143160D+01
      3   0.312451D+01 -0.917275D+00  0.603512D+01  0.773293D-01  0.184866D+01
                31            32            33            34            35 
      1  -0.105826D+01 -0.194867D+00 -0.270875D+01  0.507834D+01  0.213304D+01
      2   0.407709D+01  0.132425D+01  0.422882D+00 -0.135469D+02  0.364332D+00
      3   0.594067D+01 -0.587680D+01  0.120186D+00  0.206135D+01 -0.616684D-01
                36            37            38            39            40 
      1   0.161845D+00  0.120016D+01  0.764318D+00 -0.208982D+01  0.108176D+01
      2  -0.409027D+00 -0.289216D+00  0.125882D+01 -0.222317D+00  0.776552D+00
      3  -0.541789D+01 -0.266739D+01 -0.111782D+02 -0.248994D+01  0.545869D+01
                41            42            43            44            45 
      1   0.157755D+00 -0.368235D+01 -0.573457D+01  0.179600D+01 -0.150338D+01
      2  -0.315396D+01  0.722393D+01 -0.804219D+01  0.101541D+02  0.397553D+01
      3  -0.214834D+01  0.197797D+01 -0.380717D+00  0.116137D+01 -0.527836D+01
                46            47            48            49            50 
      1   0.175920D+00 -0.816171D+00 -0.666534D+00 -0.119410D+01 -0.291634D+01
      2  -0.209660D+00 -0.357974D+00  0.100589D+02 -0.369242D+01 -0.532956D+00
      3   0.478691D+00 -0.814692D+01  0.531081D+00  0.131722D+02  0.340002D+01
                51            52            53            54            55 
      1   0.351320D+01 -0.905098D+00  0.115065D+02  0.271537D+01 -0.238733D+01
      2  -0.518035D+00  0.930645D+01  0.414885D+00  0.285692D+01  0.242637D+01
      3   0.204875D+01  0.345309D+01  0.121019D+01  0.109336D+01  0.760083D+01
                56            57            58            59            60 
      1   0.853972D-01  0.117189D+00 -0.254571D+01 -0.155411D+01  0.207089D+01
      2   0.357055D+01 -0.342897D+01  0.542829D+01  0.283631D+01 -0.762365D+01
      3   0.517487D+01 -0.261688D+01  0.142099D+02 -0.446811D+01  0.948928D+00
                61            62            63            64            65 
      1   0.472280D+01  0.708040D+01 -0.798400D+00 -0.293191D+01 -0.208568D+01
      2  -0.145477D+02 -0.991851D+01 -0.872878D+01  0.420428D+00 -0.234973D+01
      3  -0.197343D+01 -0.699940D+01  0.101787D+02  0.186292D+02 -0.105592D+02
                66            67            68            69            70 
      1   0.961440D+00 -0.122352D+01 -0.103343D+01  0.433093D-01 -0.505030D+01
      2   0.477174D+01 -0.338107D+01  0.166241D+01  0.643623D+01 -0.354231D+01
      3   0.600372D+01  0.177435D+01  0.322428D+01 -0.153173D+01  0.640680D+01
                71            72            73            74            75 
      1   0.889384D+01  0.102955D+02  0.485906D+01 -0.225224D+01 -0.244262D+01
      2   0.708045D+01  0.108471D+02 -0.128236D+02 -0.611514D+01  0.731511D+01
      3   0.277394D+00 -0.573273D+01 -0.105514D+02 -0.189537D+02  0.184734D+01
                76            77            78            79            80 
      1   0.299439D+00  0.103524D+02 -0.797635D+01 -0.137660D+01 -0.287672D+01
      2  -0.787818D+01  0.552830D+00  0.779961D+01  0.225153D+01  0.793639D+01
      3  -0.110719D+02  0.216461D+02 -0.894532D+00  0.248190D+01  0.248887D+01
                81            82            83            84            85 
      1  -0.819848D+01 -0.467708D+00  0.639421D+00 -0.572072D+00  0.168451D+01
      2   0.125358D+02 -0.163869D+01  0.105391D+01 -0.820989D+00  0.218207D+01
      3  -0.764360D+01  0.260126D+01  0.943532D+00 -0.213429D+00  0.102200D+01
                86            87            88            89            90 
      1  -0.238345D+01 -0.654784D+01  0.322408D+01 -0.330367D+01 -0.118652D+02
      2  -0.265768D+01 -0.749691D+01 -0.495154D-01 -0.736361D+01 -0.116695D+02
      3   0.536784D+01  0.150895D+01  0.679199D+00  0.619480D+01  0.680602D+01
                91            92            93            94            95 
      1  -0.107918D+01  0.126580D+01 -0.471548D+00  0.142420D+01  0.688544D+00
      2   0.174941D+01  0.534535D+00  0.333314D+01 -0.281247D+00  0.137990D+01
      3  -0.184055D+01 -0.411800D+01 -0.449590D+00 -0.177691D+01 -0.152460D+01
                96            97            98            99           100 
      1  -0.152857D+01 -0.154634D+01  0.204957D+01 -0.136475D+01  0.753645D+00
      2   0.450048D+01  0.150561D+01  0.360201D+01  0.127901D+02 -0.183121D+01
      3  -0.350045D+01  0.100921D+00 -0.321905D+01 -0.488029D+01  0.671663D+00
               101           102           103           104           105 
      1   0.957538D+00  0.122339D+01  0.509085D-01  0.223084D+01  0.223700D+01
      2   0.879741D-01 -0.238039D+01 -0.752087D-01 -0.260510D+01 -0.552663D+01
      3   0.111546D+01 -0.733227D+00  0.121578D+01  0.320985D+00  0.249141D+01
               106           107           108           109           110 
      1  -0.325609D+00  0.501298D+01  0.106630D+02 -0.204443D+01  0.187552D+01
      2  -0.324261D+01 -0.206604D+01 -0.178163D+02 -0.204289D+00  0.185680D+01
      3  -0.104846D+01  0.361884D+01  0.232445D+01 -0.738946D+01  0.833745D+01
               111           112           113           114           115 
      1   0.162852D+01  0.185505D+01 -0.661440D+01 -0.362819D+01  0.786235D+00
      2  -0.114057D+01  0.167967D+01 -0.326944D+01  0.204498D+01 -0.150768D+01
      3  -0.315049D+00  0.103866D+02 -0.250342D+02  0.188938D+01  0.107613D+01
               116           117           118           119           120 
      1  -0.415994D+00  0.612650D+00 -0.458022D+00 -0.730735D+00 -0.212468D+01
      2   0.121627D+01 -0.946898D+00  0.765107D+01  0.796249D+00  0.691017D+01
      3  -0.111627D+01 -0.220283D+01  0.108262D+02 -0.454311D+01  0.652132D+00
               121           122           123           124           125 
      1  -0.409723D+00 -0.848304D+00 -0.386629D+00 -0.137692D+01  0.711367D+00
      2   0.148098D+01  0.528955D+00 -0.233904D+00  0.226288D+01 -0.825695D-01
      3   0.106654D+00 -0.237359D+01 -0.128751D+00  0.565707D+00 -0.120520D+01
               126           127           128           129           130 
      1  -0.835348D-02  0.114832D+01 -0.261430D+00  0.137787D+01 -0.477933D-01
      2   0.192948D+00  0.159031D+01 -0.212341D-01 -0.121060D+00 -0.435708D+00
      3   0.127798D+01 -0.107295D+02  0.478303D+01 -0.499799D+00  0.876138D+01
               131           132           133           134           135 
      1  -0.684856D-01 -0.335138D+01 -0.382336D+00  0.186660D+01  0.276957D+00
      2   0.848173D+00 -0.888404D+00 -0.135984D+01  0.341995D+00 -0.118698D+00
      3  -0.648240D+01 -0.741342D+00 -0.812041D+00  0.689780D-01  0.160216D-02
               136           137           138           139           140 
      1  -0.295308D+00 -0.278856D-01 -0.189156D+01 -0.184684D+00  0.443189D+00
      2   0.577771D+00  0.908595D+00  0.213277D+01  0.814262D+00  0.278012D+01
      3  -0.107530D+01 -0.348888D+01 -0.514693D+00 -0.219454D+01 -0.134092D+02
               141           142           143           144           145 
      1  -0.403180D+01  0.575604D+00  0.203941D+01 -0.510511D+00 -0.135896D+00
      2   0.325922D+01 -0.535056D+00 -0.278769D+00  0.494505D+00  0.206385D+01
      3  -0.232519D+01 -0.310589D+00 -0.260755D+01 -0.215765D+00  0.415998D+00
               146           147           148           149           150 
      1   0.439691D+00 -0.190937D+00  0.242299D+00  0.167789D-01 -0.407707D+00
      2  -0.742925D-01  0.616394D+01  0.135096D+01  0.348747D+00  0.389838D+00
      3  -0.528723D+01  0.189767D+00 -0.393825D+01 -0.205179D+00 -0.405226D+00
               151           152           153           154           155 
      1   0.533649D-01  0.470280D+00 -0.162454D-01  0.306084D+00 -0.604062D+00
      2  -0.288162D+01  0.407441D-01  0.557796D+00  0.296048D+00 -0.364081D+00
      3  -0.123864D+01 -0.499284D+00 -0.298950D+00  0.132237D+01 -0.483904D+01
               156           157           158           159           160 
      1   0.205052D+01  0.247971D+00  0.183819D+00 -0.364911D+01 -0.941638D+00
      2   0.231235D+01  0.459245D+00 -0.106447D+01 -0.298462D+01 -0.762950D+00
      3  -0.431993D-01 -0.335247D+01  0.124694D+02  0.114710D+01 -0.619515D+00
               161           162           163           164           165 
      1   0.168219D+01 -0.300873D+00  0.752333D+00  0.347434D+00 -0.148081D+01
      2   0.694559D+00 -0.257482D+00 -0.162677D+01 -0.936105D+00  0.323780D+00
      3   0.205290D+01  0.249951D+00  0.800667D+01  0.443899D+01  0.805701D+00
               166           167           168           169           170 
      1   0.723301D+00  0.104022D+01 -0.357842D+01  0.470220D+00  0.244215D+01
      2  -0.174153D+01 -0.163234D+01  0.527612D+00 -0.179996D+01 -0.471315D+00
      3   0.799498D+01  0.833464D+01  0.199440D+01  0.166131D+01  0.255305D+01
               171           172           173           174           175 
      1  -0.409410D+00  0.197552D+01  0.702748D+00  0.170997D+01  0.106450D+01
      2   0.243204D+00 -0.196836D+01 -0.221464D-01  0.518331D+01  0.940063D+00
      3   0.189948D+00 -0.142869D+02 -0.375827D+01 -0.240662D+01  0.468586D+00
               176           177           178           179           180 
      1   0.260336D+00 -0.445236D-01  0.730030D+00  0.651343D+00  0.989800D-01
      2   0.873854D-02  0.155990D+00  0.436448D+00 -0.105866D+01  0.146181D+01
      3   0.404918D+00 -0.134018D+01 -0.685681D+01 -0.202576D+01  0.214580D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.170865D+01  0.232565D+02  0.522294D+01 -0.282909D+02  0.590386D+01
      2  -0.438604D+01 -0.131208D+02  0.828234D+00  0.278862D+02 -0.113387D+02
      3   0.267739D+01 -0.101357D+02 -0.605117D+01  0.404663D+00  0.543486D+01
      4   0.191850D+02  0.243647D+01  0.499732D+01  0.673044D+01  0.127283D+02
      5   0.419849D+00  0.447978D+01  0.440127D+01 -0.287295D+01  0.832822D+01
      6   0.253878D+01 -0.230126D+01 -0.779485D+01  0.681624D+01 -0.584787D+01
                 6             7             8             9            10 
      1   0.151697D+01 -0.835385D+01  0.629503D+01  0.461480D+00  0.931534D+01
      2  -0.184302D+01  0.918416D+01 -0.858651D+01 -0.735668D+01 -0.745476D+01
      3   0.326050D+00 -0.830314D+00  0.229147D+01  0.689520D+01 -0.186059D+01
      4   0.919246D+01  0.211581D+01  0.748984D+01 -0.155591D+02 -0.111985D+02
      5  -0.149311D+02  0.197136D+02 -0.155012D+02 -0.806880D+01 -0.504454D-01
      6   0.756332D+01 -0.756539D+01  0.137803D+02 -0.629106D+00 -0.270077D+01
                11            12            13            14            15 
      1  -0.131798D+02 -0.283413D-01  0.497793D+01  0.615045D+01  0.453973D+01
      2   0.946951D+01 -0.247610D+01 -0.112160D+02 -0.928780D+01 -0.611447D+01
      3   0.371026D+01  0.250444D+01  0.623809D+01  0.313735D+01  0.157474D+01
      4  -0.189395D+02 -0.467716D+01  0.115314D+02 -0.125265D+02 -0.208929D+01
      5  -0.450810D+01 -0.494622D+01  0.813207D+00 -0.219648D+01 -0.571682D+00
      6  -0.296155D+01  0.664986D+01 -0.558017D+01 -0.915952D+01  0.410560D+01
                16            17            18            19            20 
      1   0.222338D+01  0.104965D+01 -0.162643D+02 -0.230598D+02 -0.460007D+00
      2  -0.426520D+01 -0.684833D+01  0.944203D+00  0.806208D+01  0.101031D+01
      3   0.204181D+01  0.579868D+01  0.153201D+02  0.149978D+02 -0.550308D+00
      4   0.524240D+00 -0.414127D+01 -0.658420D+01  0.155045D+02  0.404776D+01
      5  -0.626754D+00 -0.578459D+01 -0.617315D+01  0.144599D+01  0.953867D+00
      6   0.317967D+01  0.119719D+02  0.523575D+01 -0.585525D+00 -0.348038D+00
                21            22            23            24            25 
      1   0.107235D+01 -0.613191D-01 -0.295232D+01  0.935746D+00 -0.100872D+02
      2  -0.110985D+01 -0.170318D+01  0.101125D+02  0.352615D+01  0.272656D+01
      3   0.374933D-01  0.176450D+01 -0.716014D+01 -0.446190D+01  0.736063D+01
      4   0.141821D+01 -0.611602D+01 -0.264704D+01 -0.101780D+01 -0.255598D+01
      5   0.769506D-01 -0.370362D+01 -0.144694D+00  0.207329D+01  0.365147D+01
      6   0.686748D+00 -0.180908D+01  0.176754D+01 -0.311410D+01 -0.111071D+01
                26            27            28            29            30 
      1  -0.724163D+00 -0.925188D+01  0.671557D+01  0.156912D+02  0.492207D+01
      2   0.122445D+01 -0.343640D+01 -0.638809D+01 -0.106595D+02 -0.832797D+00
      3  -0.500289D+00  0.126883D+02 -0.327476D+00 -0.503173D+01 -0.408927D+01
      4  -0.376351D+01  0.284982D+01  0.378840D+01 -0.135475D+02 -0.423806D+00
      5   0.229000D+01 -0.406592D+00  0.172470D+01 -0.585555D+00 -0.203020D+01
      6   0.604391D+01 -0.255438D+01  0.267937D+01 -0.237990D+01 -0.765922D+01
                31            32            33            34            35 
      1  -0.293847D+01  0.770375D+00  0.183235D+01 -0.656737D+00  0.302176D+01
      2   0.117827D+02 -0.582822D+01 -0.206489D+01  0.282083D+01 -0.509201D+01
      3  -0.884422D+01  0.505784D+01  0.232543D+00 -0.216409D+01  0.207024D+01
      4   0.233981D+01  0.135810D+02  0.166127D+01 -0.466927D+00 -0.240921D+01
      5   0.145163D+01  0.148614D+01 -0.232712D+00  0.394330D+01  0.416472D+01
      6   0.521626D+01 -0.286313D+01  0.690392D+01 -0.209053D+01  0.142591D+02
                36            37            38            39            40 
      1  -0.152564D+02  0.290288D+01 -0.214592D+02 -0.230904D+01  0.272279D+02
      2   0.287569D+01 -0.239059D+01  0.130710D+02  0.758413D+00 -0.263477D+02
      3   0.123808D+02 -0.512291D+00  0.838815D+01  0.155062D+01 -0.880221D+00
      4   0.373076D+01 -0.109112D+02 -0.531635D+01 -0.494279D+01  0.710464D+01
      5  -0.145662D+01 -0.458220D+01 -0.474540D+01 -0.241647D+01 -0.120750D+01
      6   0.376917D+00 -0.562171D+01 -0.272124D+01  0.542509D+01 -0.571771D+01
                41            42            43            44            45 
      1   0.103319D+02  0.146281D+01  0.250923D+01 -0.322814D+01 -0.508253D+01
      2  -0.150517D+02 -0.640159D+01 -0.660448D+01 -0.488785D+01 -0.574117D+01
      3   0.471981D+01  0.493878D+01  0.409525D+01  0.811599D+01  0.108237D+02
      4  -0.536490D+01 -0.672833D+01 -0.533209D+01 -0.985210D+01  0.154716D+02
      5  -0.666939D+01  0.150574D+02  0.148586D+02  0.157120D+02  0.814113D+01
      6  -0.936735D+01  0.687149D+01  0.596199D+01  0.144438D+02  0.407738D+01
                46            47            48            49            50 
      1  -0.106857D+02 -0.108974D+01 -0.792590D+01  0.481067D+01 -0.203097D+02
      2   0.559148D+01  0.101436D+01  0.404697D+01 -0.276289D+01  0.180206D+02
      3   0.509427D+01  0.753843D-01  0.387893D+01 -0.204778D+01  0.228906D+01
      4  -0.170916D+01  0.261307D+02  0.236392D+00 -0.225872D+02 -0.635135D+01
      5  -0.925168D+01  0.963973D-01  0.225657D+02 -0.110590D+02 -0.270450D+01
      6   0.663808D+00  0.796036D+00  0.151282D+01 -0.286365D+01  0.375949D+01
                51            52            53            54            55 
      1  -0.599868D+01 -0.889319D+01 -0.658892D+01  0.142843D+02  0.184073D+02
      2   0.959454D+01  0.309192D+01  0.500516D+01 -0.184799D+02 -0.693013D+01
      3  -0.359586D+01  0.580126D+01  0.158376D+01  0.419558D+01 -0.114772D+02
      4  -0.355270D+01 -0.119664D+02  0.962628D+00 -0.594502D+00 -0.954949D+01
      5  -0.967596D+00  0.372090D+02  0.202544D+00  0.614311D+01 -0.426037D+00
      6  -0.698209D+01  0.132119D+00  0.653648D+01 -0.429931D+01  0.846941D+00
                56            57            58            59            60 
      1   0.744598D+00 -0.612514D+00 -0.136178D+01 -0.817483D+01  0.469377D+00
      2   0.286120D+01  0.229383D+00  0.817504D+01  0.363163D+01 -0.160450D+01
      3  -0.360580D+01  0.383132D+00 -0.681326D+01  0.454320D+01  0.113512D+01
      4  -0.231853D+02  0.687468D+01 -0.340430D+02 -0.445034D+01  0.423275D+01
      5   0.750586D+01 -0.154245D+02  0.124535D+02  0.310273D+01 -0.211293D+02
      6   0.191536D+01 -0.194574D+01  0.481303D+01  0.933142D+01 -0.132263D+02
                61            62            63            64            65 
      1   0.151224D+02  0.782950D+01 -0.195807D+01 -0.425778D+02  0.706534D+01
      2   0.229706D+01  0.196646D+01  0.100629D+02  0.261519D+02 -0.845301D+01
      3  -0.174194D+02 -0.979596D+01 -0.810484D+01  0.164259D+02  0.138767D+01
      4   0.154932D+02  0.156523D+02 -0.261504D+02  0.967710D+01  0.150369D+02
      5  -0.228381D+02 -0.241800D+02 -0.223022D+02 -0.132624D+02 -0.644882D+01
      6  -0.133898D+02 -0.456676D+01 -0.561946D+01  0.256142D+01  0.488841D+01
                66            67            68            69            70 
      1  -0.117493D+02  0.320650D+01 -0.233518D+01 -0.197165D+01 -0.123278D+02
      2   0.788279D+01 -0.626728D+01  0.165112D+02  0.744743D-01  0.942466D+01
      3   0.386651D+01  0.306078D+01 -0.141760D+02  0.189718D+01  0.290312D+01
      4  -0.525706D+01  0.204113D+02 -0.136747D+02  0.663213D+01 -0.827315D+01
      5   0.591487D+01 -0.141101D+02  0.597229D+01  0.125109D+02  0.252091D+01
      6  -0.289605D+01  0.309716D+01 -0.985396D+01  0.204770D+01  0.281955D+01
                71            72            73            74            75 
      1   0.319918D+00 -0.744010D+00 -0.606535D+02 -0.184741D+02 -0.173687D+01
      2  -0.115309D+01 -0.769087D+01  0.250761D+02  0.171298D+02  0.412116D+01
      3   0.833172D+00  0.843488D+01  0.355774D+02  0.134429D+01 -0.238429D+01
      4   0.602265D+01  0.100565D+02 -0.207029D+02  0.189059D+02 -0.847017D+01
      5   0.939104D+01  0.229881D+02 -0.348155D+01 -0.568326D+01  0.126922D+02
      6  -0.165567D+01 -0.170326D+02 -0.493854D+01 -0.654963D+01  0.483764D+01
                76            77            78            79            80 
      1  -0.694675D+01  0.220070D+02  0.234141D+01 -0.143111D+02 -0.863699D+00
      2   0.669817D+01 -0.250720D+02  0.736044D+01  0.625796D+01  0.296456D+01
      3   0.248583D+00  0.306496D+01 -0.970184D+01  0.805319D+01 -0.210086D+01
      4   0.213567D+02 -0.873095D+01 -0.381381D+01 -0.190586D+02 -0.134145D+02
      5  -0.112904D+02 -0.679403D+01  0.173581D+02  0.164501D+02  0.190151D+02
      6  -0.679051D+01 -0.525690D+01  0.925319D+01  0.916844D+01  0.985674D+01
                81            82            83            84            85 
      1   0.128208D+02  0.813369D+00 -0.334080D+01 -0.217805D+01 -0.577709D+01
      2   0.857138D+01 -0.595136D-01  0.904850D+00  0.901305D-01  0.170785D+01
      3  -0.213922D+02 -0.753855D+00  0.243595D+01  0.208792D+01  0.406924D+01
      4   0.224777D+02 -0.355692D+01  0.190981D+00  0.297028D+01  0.725920D+01
      5   0.160389D+02 -0.233635D+01  0.225888D+01 -0.709704D+00  0.540076D+01
      6   0.444687D-01  0.174967D+01 -0.111736D+01  0.823090D+00 -0.282005D+01
                86            87            88            89            90 
      1  -0.297456D+01  0.616947D+00 -0.781054D+01 -0.820964D+00 -0.608263D+01
      2   0.428246D+01  0.179661D+01  0.346556D+01  0.245868D+01  0.259581D+01
      3  -0.130790D+01 -0.241355D+01  0.434498D+01 -0.163771D+01  0.348682D+01
      4  -0.125568D+02 -0.618964D+01  0.973133D+01 -0.126852D+02 -0.137704D+02
      5  -0.518584D+01 -0.148063D+02  0.739012D+01 -0.139051D+02 -0.245284D+02
      6   0.487564D+01  0.119266D+02 -0.413465D+01  0.115848D+02  0.166542D+02
                91            92            93            94            95 
      1   0.641350D+01  0.137039D+01  0.433155D+01  0.934931D+00 -0.265060D+01
      2  -0.747774D+01 -0.130027D+01 -0.446783D+01 -0.284880D+01 -0.232263D+00
      3   0.106423D+01 -0.701236D-01  0.136284D+00  0.191387D+01  0.288287D+01
      4   0.493070D+01  0.801409D+01  0.259227D+01  0.112375D+02  0.648615D+01
      5   0.996467D+01  0.266677D+01  0.138755D+02  0.400613D+01  0.639344D+01
      6   0.315436D+01 -0.154421D+00  0.194207D+01  0.213029D+01  0.448894D+01
                96            97            98            99           100 
      1  -0.246208D+01  0.284614D+01 -0.334742D+01 -0.104629D+02  0.402392D+01
      2  -0.682628D+00 -0.950154D+01 -0.277660D+01 -0.154018D+02 -0.405210D+01
      3   0.314471D+01  0.665539D+01  0.612401D+01  0.258647D+02  0.281734D-01
      4   0.679969D+01  0.343666D+01  0.724159D+01  0.104795D+02  0.156177D+01
      5   0.107478D+02  0.204380D+02  0.988582D+01  0.334064D+02 -0.272560D+01
      6   0.105195D+02  0.558476D+01  0.696414D+01  0.117697D+02  0.929599D-02
               101           102           103           104           105 
      1   0.203435D+01 -0.646489D+01 -0.189716D+01 -0.417570D+01 -0.227986D+01
      2  -0.187740D+01  0.648881D+00  0.207632D+01  0.102121D+01 -0.597133D+01
      3  -0.156944D+00  0.581601D+01 -0.179161D+00  0.315449D+01  0.825119D+01
      4  -0.167942D+01 -0.528595D+00 -0.883211D-01 -0.224620D+01 -0.481378D+01
      5   0.753898D+00  0.298026D+00  0.422383D+01 -0.359728D+01 -0.104363D+02
      6   0.178038D+01 -0.149882D+01 -0.739890D-01  0.183623D+01  0.303969D+01
               106           107           108           109           110 
      1  -0.592604D+01 -0.481379D+00 -0.172495D+02 -0.259956D+01  0.988948D+01
      2   0.395414D+01 -0.422792D+01 -0.172741D+02  0.516733D+01 -0.111926D+02
      3   0.197190D+01  0.470930D+01  0.345236D+02 -0.256777D+01  0.130315D+01
      4  -0.304344D+01 -0.706413D+01 -0.491259D+01  0.956176D+00 -0.474069D+01
      5   0.724352D+01 -0.258015D+01 -0.302013D+02  0.205449D+01  0.295707D+00
      6   0.702787D+00  0.360092D+01 -0.956463D+01 -0.831050D-02  0.277184D+01
               111           112           113           114           115 
      1  -0.735424D+00  0.102009D+02 -0.285910D+02  0.284578D+01  0.141766D+01
      2  -0.609385D-01 -0.800754D+01  0.427700D+02 -0.166814D+01 -0.694971D+00
      3   0.796362D+00 -0.219333D+01 -0.141789D+02 -0.117764D+01 -0.722687D+00
      4   0.195293D+01  0.354210D+01  0.341608D+02 -0.396672D+01  0.252363D+01
      5  -0.229949D+01 -0.304929D+01 -0.159849D+01  0.454897D+01  0.209827D+00
      6  -0.271621D+01  0.877711D+00 -0.922988D+01  0.679028D+01 -0.161619D+01
               116           117           118           119           120 
      1   0.992180D+00 -0.557175D+01  0.829101D+02  0.118192D+02  0.254585D+01
      2   0.810778D+00  0.303630D+01 -0.388719D+02 -0.274779D+01  0.355809D+00
      3  -0.180296D+01  0.253546D+01 -0.440381D+02 -0.907144D+01 -0.290166D+01
      4   0.213755D+01  0.144530D+01  0.359646D+02  0.168196D+02 -0.336015D-01
      5   0.206665D+01 -0.128790D+01 -0.977480D+01 -0.198174D+01  0.107556D+02
      6   0.699949D+01 -0.134892D+01 -0.943790D+00 -0.163282D+01  0.389159D+01
               121           122           123           124           125 
      1   0.142575D+01  0.480036D+01  0.522116D+00  0.117472D+02  0.120541D+01
      2   0.228670D+01  0.104398D+01 -0.725309D+00 -0.510318D+01  0.203246D+00
      3  -0.371245D+01 -0.584435D+01  0.203193D+00 -0.664402D+01 -0.140866D+01
      4   0.132305D+02  0.827348D+01  0.386697D+00  0.546207D+01  0.419140D+01
      5   0.593140D+00 -0.281705D+00 -0.535181D+00  0.104989D+02  0.981058D+00
      6  -0.105625D+01 -0.582371D+00  0.931252D+00  0.346653D+01  0.106086D+01
               126           127           128           129           130 
      1   0.582896D+01 -0.366284D+01  0.642774D+01  0.102984D+01  0.779005D+01
      2  -0.534279D+01  0.594776D+01 -0.946625D+01 -0.875668D+00 -0.109532D+02
      3  -0.486174D+00 -0.228492D+01  0.303850D+01 -0.154168D+00  0.316317D+01
      4   0.186378D+01 -0.804650D+01  0.599277D+01  0.756845D+00  0.676416D+01
      5   0.688811D-01 -0.105334D+00  0.113200D+01  0.534896D+00  0.993227D+00
      6   0.478714D+00 -0.803722D+00 -0.349182D+00 -0.116063D+01 -0.820231D+00
               131           132           133           134           135 
      1  -0.248319D+02 -0.227543D+01  0.437515D+00 -0.127840D+01 -0.514494D+00
      2   0.336061D+02  0.191469D+01 -0.965581D+00  0.201848D+01  0.138536D+01
      3  -0.877423D+01  0.360737D+00  0.528065D+00 -0.740085D+00 -0.870864D+00
      4  -0.650111D+01 -0.362683D+00 -0.159469D-01 -0.122984D+00 -0.129088D+01
      5  -0.915298D+00 -0.119942D+01  0.624262D+00 -0.710263D+00 -0.160583D+00
      6   0.275823D+01  0.504430D+01 -0.564864D+00  0.155595D+01  0.579755D-01
               136           137           138           139           140 
      1   0.858939D+01  0.695888D+01  0.122315D+01  0.701077D+00 -0.106342D+02
      2   0.236107D+01  0.442849D+01  0.267923D+00  0.116416D+02  0.325614D+02
      3  -0.109505D+02 -0.113874D+02 -0.149108D+01 -0.123426D+02 -0.219272D+02
      4   0.236194D+02  0.269721D+02  0.555833D+01  0.289127D+02  0.492041D+02
      5   0.505666D+01  0.531931D+01  0.528420D+01  0.559663D+01  0.858121D+01
      6   0.385608D+01  0.429620D+01  0.302734D+01  0.550288D+01  0.110193D+02
               141           142           143           144           145 
      1  -0.206947D+01  0.107568D+01 -0.122703D+01 -0.786854D+00  0.104057D+03
      2   0.415746D+01  0.169340D+01  0.532691D+01  0.200538D+01 -0.597425D+02
      3  -0.208798D+01 -0.276909D+01 -0.409988D+01 -0.121852D+01 -0.443142D+02
      4   0.917188D+01  0.741461D+01  0.107919D+02  0.310259D+01  0.423300D+01
      5   0.555625D+01  0.213672D+01  0.252102D+01  0.185556D+01  0.128346D+02
      6   0.789851D+01  0.214375D+01  0.362734D+01  0.255732D+01 -0.196178D+01
               146           147           148           149           150 
      1   0.302523D+01  0.862963D+01  0.170251D+01  0.955831D+01  0.146608D+01
      2  -0.149525D+01 -0.585678D+01 -0.771347D+00 -0.477853D+01 -0.137419D+01
      3  -0.152998D+01 -0.277285D+01 -0.931164D+00 -0.477977D+01 -0.918846D-01
      4   0.838632D+01  0.187491D+00  0.154528D+02  0.120214D+01  0.138082D+01
      5   0.227604D+00  0.101746D+02  0.295198D+01  0.144677D+01  0.662148D+00
      6   0.528188D+00 -0.596652D-01  0.106241D+01 -0.169785D+00  0.172173D+01
               151           152           153           154           155 
      1   0.111612D+02  0.174597D+01  0.297928D+01  0.159535D+02 -0.108734D+02
      2  -0.657820D+01 -0.114908D+01 -0.164717D+01 -0.309377D+00 -0.335422D+01
      3  -0.458296D+01 -0.596887D+00 -0.133211D+01 -0.156441D+02  0.142276D+02
      4   0.309020D+01  0.118767D+01  0.597149D+00 -0.300697D+02  0.307438D+02
      5   0.244616D+01  0.371847D+00  0.198168D+01 -0.375043D+01  0.273716D+01
      6   0.944503D-01  0.606649D+00  0.451464D+00  0.124308D+01 -0.105380D+01
               156           157           158           159           160 
      1  -0.148812D+01 -0.548396D+01 -0.165919D+01 -0.147531D+00  0.663113D+00
      2   0.299177D+00 -0.970933D+01  0.239945D+02  0.140167D+01 -0.179018D+01
      3   0.118894D+01  0.151933D+02 -0.223353D+02 -0.125414D+01  0.112707D+01
      4   0.249298D+01  0.337332D+02 -0.487035D+02 -0.586500D+01  0.327288D+01
      5   0.487710D+01  0.486837D+01 -0.653709D+01 -0.496298D+01  0.167757D+01
      6  -0.259953D+01 -0.326128D+01  0.504880D+01  0.594365D+01 -0.125114D+01
               161           162           163           164           165 
      1  -0.134347D+01 -0.421054D+00 -0.497115D+01 -0.731202D+01 -0.292835D+01
      2   0.344327D+01  0.134890D+01  0.612135D+01  0.862530D+01  0.203520D+01
      3  -0.209980D+01 -0.927846D+00 -0.115020D+01 -0.131328D+01  0.893156D+00
      4  -0.544645D+01 -0.219313D+01  0.526309D+01  0.687493D+01  0.130778D+01
      5  -0.138668D+01 -0.576600D+00  0.414169D+00  0.948469D+00  0.177239D+01
      6   0.203890D+01  0.134558D+01  0.264088D+01  0.423960D+01  0.240629D+01
               166           167           168           169           170 
      1  -0.849630D+01 -0.289075D+02 -0.766400D+01 -0.243725D+01 -0.636534D+01
      2   0.103929D+02  0.365548D+02  0.687339D+01  0.263824D+01  0.743031D+01
      3  -0.189659D+01 -0.764729D+01  0.790616D+00 -0.200989D+00 -0.106496D+01
      4   0.560002D+01  0.196988D+01  0.528916D-01  0.172040D+01  0.945072D+00
      5   0.491157D+00 -0.597482D+00  0.476741D+00  0.111617D+01  0.646020D+00
      6   0.335985D+01  0.119743D+02  0.784951D+01  0.128492D+01  0.430868D+01
               171           172           173           174           175 
      1  -0.269526D+01  0.731772D+02 -0.105814D+02  0.120740D+02 -0.248072D+01
      2   0.289369D+01 -0.398048D+02  0.439600D+01 -0.733142D+01 -0.547658D+00
      3  -0.198429D+00 -0.333724D+02  0.618541D+01 -0.474263D+01  0.302837D+01
      4   0.193025D+01 -0.278050D+02  0.115709D+02 -0.300361D+01  0.771082D+01
      5   0.112934D+01  0.180027D+02 -0.141412D+01  0.109598D+02  0.344933D+01
      6   0.290132D+01 -0.437954D+01  0.353177D+00 -0.287183D+01  0.880551D-01
               176           177           178           179           180 
      1   0.219813D+01  0.364692D+01  0.201530D+02  0.113704D+01  0.506257D+01
      2   0.431529D+00 -0.290441D+01 -0.134985D+02 -0.803379D+00 -0.425318D+01
      3  -0.262966D+01 -0.742514D+00 -0.665450D+01 -0.333661D+00 -0.809393D+00
      4  -0.271811D+01  0.106013D+01 -0.407244D+01  0.227677D+01 -0.294984D+01
      5   0.191147D+01  0.781082D+00  0.114194D+02 -0.206557D+01  0.557977D+01
      6  -0.520384D+00  0.126887D+01 -0.168130D+01  0.169695D+01 -0.893718D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.579935D+00      0.147405D+01      0.491689D+01
   x         -0.448079D+00     -0.113890D+01     -0.379898D+01
   y         -0.269225D+00     -0.684303D+00     -0.228259D+01
   z          0.251131D+00      0.638311D+00      0.212918D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.993087D+02      0.147160D+02      0.163738D+02
   aniso      0.531002D+02      0.786864D+01      0.875505D+01
   xx         0.126730D+03      0.187794D+02      0.208949D+02
   yx         0.903546D+00      0.133892D+00      0.148975D+00
   yy         0.104140D+03      0.154319D+02      0.171703D+02
   zx         0.281518D+01      0.417167D+00      0.464160D+00
   zy         0.483741D+01      0.716830D+00      0.797581D+00
   zz         0.670564D+02      0.993673D+01      0.110561D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.110385D+03      0.163573D+02      0.182000D+02
   aniso      0.561619D+02      0.832233D+01      0.925985D+01
   xx         0.140083D+03      0.207581D+02      0.230965D+02
   yx         0.113438D+01      0.168098D+00      0.187034D+00
   yy         0.114714D+03      0.169989D+02      0.189138D+02
   zx         0.217097D+01      0.321704D+00      0.357944D+00
   zy         0.400869D+01      0.594027D+00      0.660944D+00
   zz         0.763566D+02      0.113149D+02      0.125895D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.53607466         -2.91565787         -2.07048292
     6          0.80927742         -2.47769656         -0.14723813
     6         -0.41786881         -0.15140609          0.08040782
     6          0.12047473          1.71930472         -1.68994411
     6          1.86242815          1.29147708         -3.61325982
     6          3.08052437         -1.02221775         -3.81064219
     6         -2.28067951          0.26781541          2.22650307
     7         -3.53850372          2.72350695          2.00979222
     6         -1.00691239         -0.12238757          4.80789847
     1         -2.31712068          4.13597487          2.45183943
     1         -3.76994216         -1.15498740          2.02586317
     1          0.49266060          1.27239073          5.07259673
     1         -0.16500461         -1.99494953          4.98796836
     1         -2.38650853          0.10758568          6.32565263
     1         -0.86785450          3.50307433         -1.59509886
     1          2.25297917          2.77345077         -4.96906539
     1          4.42973347         -1.35680704         -5.31103090
     1          3.45534572         -4.73780743         -2.21482921
     1          0.39850037         -3.97621185          1.18553158
     1         -4.97315233          2.82834855          3.27258364

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.579935D+00      0.147405D+01      0.491689D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.579935D+00      0.147405D+01      0.491689D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.993087D+02      0.147160D+02      0.163738D+02
   aniso      0.531002D+02      0.786864D+01      0.875505D+01
   xx         0.900945D+02      0.133506D+02      0.148546D+02
   yx        -0.132642D+02     -0.196555D+01     -0.218697D+01
   yy         0.100341D+03      0.148689D+02      0.165439D+02
   zx        -0.258890D+02     -0.383636D+01     -0.426853D+01
   zy        -0.415201D+01     -0.615264D+00     -0.684573D+00
   zz         0.107491D+03      0.159285D+02      0.177229D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.110385D+03      0.163573D+02      0.182000D+02
   aniso      0.561619D+02      0.832233D+01      0.925985D+01
   xx         0.100526D+03      0.148965D+02      0.165746D+02
   yx        -0.144957D+02     -0.214804D+01     -0.239002D+01
   yy         0.110212D+03      0.163318D+02      0.181716D+02
   zx        -0.269768D+02     -0.399755D+01     -0.444787D+01
   zy        -0.382098D+01     -0.566211D+00     -0.629995D+00
   zz         0.120415D+03      0.178437D+02      0.198538D+02

 ----------------------------------------------------------------------
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 REALITY IS FOR PEOPLE WHO CAN'T FACE SCIENCE FICTION.
 Job cpu time:       0 days  4 hours 58 minutes 51.5 seconds.
 Elapsed time:       0 days  0 hours 37 minutes 31.5 seconds.
 File lengths (MBytes):  RWF=    259 Int=      0 D2E=      0 Chk=     10 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 20:28:09 2021.
